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Université Catholique de Louvain
1.
Morelle, Fabrice.
Hybrid hydridic frameworks by the combination of complex hydrides and nitrogen-based organic ligands.
Degree: 2017, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/191765
► Over the past 15 years, the research in hydrogen storage and the advances in powder diffraction techniques led to the discovery and structural characterization of…
(more)
▼ Over the past 15 years, the research in hydrogen storage and the advances in powder diffraction techniques led to the discovery and structural characterization of numerous metal borohydride (M(BH4)) revealing bonding schemes similar to those of metal-organic-frameworks, the borohydride anion behaving as the linker. In this work, we combined metal borohydrides with neutral and negatively charged nitrogen-based organic ligands searching for hybrid compounds containing both the hydridic borohydride anion and the organic moiety in a single structure. This strategy was aiming at the formation of a new class of porous materials in which the organic part would provide the structural rigidity and the borohydride would provide the functionality. The focus was placed on the structural characterization of the compounds. Neutron powder diffraction and ab initio calculation were used to complement the synchrotron radiation X-ray powder diffraction data when the latter were not sufficient to build satisfactory structural models. Other techniques were used to probe the properties suggested by the structural features of the obtained materials. The compounds prepared showed that the structures are dominated by the interaction between the organic ligand and the metal, the borohydride group accommodating unfavorable coordination environments in some cases. This brings to the conclusion that despite its structure directing tendency, the borohydride group is not the suitable building block for the construction of porous hybrid compounds. However, this unfavorable environment leads to unprecedented rotational dynamics of the BH4 group with possible rotational tunneling.
(SC - Sciences) – UCL, 2017
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Devillers, Michel, Singleton, Michael, Felderhoff, Michael, Gaigneaux, Eric, Filinchuk, Yaroslav.
Subjects/Keywords: MOF; Structure elucidation; Borohydride; Lithium
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APA ·
Chicago ·
MLA ·
Vancouver ·
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APA (6th Edition):
Morelle, F. (2017). Hybrid hydridic frameworks by the combination of complex hydrides and nitrogen-based organic ligands. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/191765
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Morelle, Fabrice. “Hybrid hydridic frameworks by the combination of complex hydrides and nitrogen-based organic ligands.” 2017. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/191765.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Morelle, Fabrice. “Hybrid hydridic frameworks by the combination of complex hydrides and nitrogen-based organic ligands.” 2017. Web. 16 Apr 2021.
Vancouver:
Morelle F. Hybrid hydridic frameworks by the combination of complex hydrides and nitrogen-based organic ligands. [Internet] [Thesis]. Université Catholique de Louvain; 2017. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/191765.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Morelle F. Hybrid hydridic frameworks by the combination of complex hydrides and nitrogen-based organic ligands. [Thesis]. Université Catholique de Louvain; 2017. Available from: http://hdl.handle.net/2078.1/191765
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
2.
Villemin, Elise.
Dérivés phosphoniques polycycliques : synthèse et étude d’interactions supramoléculaires.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/118669
► This PhD work makes part of the « Action de Recherche Concertée » program (ARC number 08/13-009) which consists of organic or inorganic guest molecules…
(more)
▼ This PhD work makes part of the « Action
de Recherche Concertée » program (ARC number 08/13-009) which consists of organic or inorganic guest
molecules insertion in a known polymer matrix endowed with pH-responsible properties, and the study of the non covalent interactions occurring between the guest
molecules and the polymer matrix. Two complementary axes have been developed in order to answer to these problematics: the synthesis and characterization of phosphonated products on the one hand, and the preparation and the study of “guest / host” materials on the other hand.
In a first time, it was necessary to have access to small water-soluble
molecules (or
molecules soluble in polar solvents) for compatibility with the host matrix in order to prepare “host / guest” materials. New phosphonated products were obtained by a methodology based on the Diels-Alder (DA) reaction using diethyl 1-phosphono-1,3-butadiene. The limits of
reactivity of this diene in the Diels-Alder reaction have been highlighted. We were particularly interested in cycloadducts obtained by DA reaction between diethyl 1-phosphono-1,3-butadiene and N-fonctionnalized maleimides as dienophiles, giving access to cycloadducts featuring a « half-cage » particular shape. These
molecules revealed to behave as excellent ligands of di- and trivalent cations (thank to a HRMS-ESI study).
Many synthetic assays did not allow the preparation of 2-phosphonated diene, but a methodology based on the Horner-Wadsworth-Emmons reaction gave access to 1-phosphonated 3(4-di)-alkylsubstituted dienes, which were tested in Diels-Alder reaction with 3 representative dienophiles. Original bi- and tricyclic
molecules were prepared using this method. Reactions sequences, such as Diels-Alder cycloaddition / first functionalization / second functionalization, gave access to linear or cyclic phosphonated multifunctionalized
molecules. A particular attention was paid to the dialkylphosphonate deprotection to phosphonic acid function. Indeed,
molecules with dialkyl phosphonate or phosphonic acid groups are used in multiple application domains, such as medicinal chemistry, agrochemistry, materials and polymers chemistry.
In a second part, phosphonated synthetic products were selected as guest
molecules of the host polymer matrix. A detailed study was realised about Eu(III) coordination complexes with ligands featuring a phosphonic ester function, their insertions into the host polymer matrix giving access to hybrids materials. The non covalent interactions between guest
molecules and the host polymer matrix were evidenced using various analytical methods, such as X ray diffraction, infrared spectroscopy, 31P NMR and photoluminescence. Furthermore, the insertion of a phosphonated molecule bearing a pyrene fluorophore group revealed particularly interesting: this molecule could be a probe equipped with an anchorage function (PO(OEt)2) targeting the hydrophilic zones or metallic cations, and a pyrene motif able to give information about the pyrene environment polarity, near…
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Marchand-Brynaert, Jacqueline, Demoustier, Sophie, Elias, Benjamin, Devillers, Michel, Stevens, Christian V., Bouillon, Jean-Philippe.
Subjects/Keywords: Phosphonate; Diels-Alder reaction; « half-cage » structure; Horner-Wadsworth-Emmons reaction; Europium (III); Coordination complexes; HRMS-ESI; Photoluminescence.
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
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APA (6th Edition):
Villemin, E. (2012). Dérivés phosphoniques polycycliques : synthèse et étude d’interactions supramoléculaires. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/118669
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Villemin, Elise. “Dérivés phosphoniques polycycliques : synthèse et étude d’interactions supramoléculaires.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/118669.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Villemin, Elise. “Dérivés phosphoniques polycycliques : synthèse et étude d’interactions supramoléculaires.” 2012. Web. 16 Apr 2021.
Vancouver:
Villemin E. Dérivés phosphoniques polycycliques : synthèse et étude d’interactions supramoléculaires. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/118669.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Villemin E. Dérivés phosphoniques polycycliques : synthèse et étude d’interactions supramoléculaires. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/118669
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
3.
Gathy, Thomas.
Etude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/118666
► This work consists in a theoretical study of the hydrosilylation reactions of ketones by a copper-diphosphine catalyst. The active species in these systems is a…
(more)
▼ This work consists in a theoretical study of the hydrosilylation reactions of ketones by a copper-diphosphine catalyst. The active species in these systems is a copper hydride coordinated by a diphosphine ligand. While the reaction is well known to experimentalists, many questions remain. Our work consists in an analysis of the postulated catalytic cycle and a study of the various factors that affect it. For this, we use quantum chemical methods and more precisely the density functional theory (DFT) to determine the different species occurring throughout the various steps. For each step, the geometric structure of extrema, the electronic distribution (NBO method) and the thermochemistry of the reaction have been determined using model compounds.
The reaction process occurs in two parts: the formation of the catalyst and the catalytic cycle. The reaction between the pre-catalyst FCu[diphosphine] and the silane leads to the catalyst. The catalytic cycle is made up of two steps: the reduction of the ketone by the catalyst followed by a regeneration of the catalyst and the release of a silyl ether. These steps would be realized by an asynchronous concerted mechanism in which the transfer of the copper bounded atom is more advanced than the transfer to the metal centre.
The nature and structure of the diphosphine ligand, ketone and hydrosilylant agent are the parameters influencing the process. The stabilization of the various species and the height of activation barriers for each step are a compromise between stabilizing electronic interactions (hydrogen like bond) and destabilizing steric interactions. The nature of the biaryl skeleton and substituents on the phosphorus atoms of the diphosphine ligand are very important. These determine the stability of complexes and the activation barriers. In addition, the nature of the ligand also determines the value of the bite angle P-Cu-P which influences the activation barrier of the first step of the catalytic cycle. The nature of the ketone mainly influences the first step of the catalytic cycle while the hydrosilylant agent modifies the second stage and the formation of the catalyst.
The presence of a monophosphine ligand in the coordination sphere of copper allows the copper to keep its tetrahedral configuration. Indeed, the distance between the ligand and the copper atom varies along steps. The movement of the monophosphine facilitates the crossing of the transition state by an in and out motion which stabilizes the products.
Finally, kinetics of the catalytic cycle are also discussed. This appear to be relatively complex, the rate-determining step depends on the nature of the reactants.
Ce travail consiste en une étude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine. L'espèce active dans ces systèmes est un hydrure de cuivre coordonné par un ligand diphosphine. Alors que la réaction est bien connue des expérimentateurs, de nombreuses questions se posent encore. Notre travail consiste à analyser le cycle catalytique…
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Peeters, Daniel, Gaigneaux, Eric, Nguyen, Minh Tho, Dive, Georges, Riant, Olivier, Leyssens, Tom.
Subjects/Keywords: Hydrosilylation; Copper catalyst; Catalytic cycle; Theoretical study; DFT
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Gathy, T. (2012). Etude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/118666
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Gathy, Thomas. “Etude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/118666.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Gathy, Thomas. “Etude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine.” 2012. Web. 16 Apr 2021.
Vancouver:
Gathy T. Etude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/118666.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Gathy T. Etude théorique des réactions d'hydrosilylation des cétones par un catalyseur cuivre-diphosphine. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/118666
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
4.
Dirtu, Marinela Maria.
Engineering and functionality of new molecular materials based on 1, 2, 4-triazole building blocks from molecular sensors to metal-organic/amino-acid frameworks.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/115165
► Spin crossover (SCO) molecular switches have emerged as remarkable functional materials. Novel Fe8 SCO 1D chains with 4-amino-1,2,4-triazole (NH2trz) and diverse fluorinated inorganic anions varying…
(more)
▼ Spin crossover (SCO) molecular switches have emerged as remarkable functional materials. Novel Fe8 SCO 1D chains with 4-amino-1,2,4-triazole (NH2trz) and diverse fluorinated inorganic anions varying in geometry/size/charge were investigated and a data bank based on the transition temperature and anions volume was delineated. Further insights on the role of anionic sublattice were gained thanks to 119Sn Mössbauer spectroscopy. The origin of the large hysteresis loop, accompanying the SCO in 1D chains as revealed and attributed to an extensive intra and inter molecular H-bonding network involving the counter anion. The precursor NH2trz was modified into 4-hydroxy-1,2,4-triazole and new Fe(II) chains were prepared.
For the first time 1,2,4-triazole derivatives of - and -aminoesters were designed and introduced to produce new SCO 1D coordination polymers. A strong sensitivity of the SCO behavior was observed on increasing carbon spacer on going toAlatrz. An atypical two-step SCO behavior was thoroughly probed by spectroscopic studies. Further, an acid analogue, 4H-1,2,4-triazol-4-yl acetic acid, has been engineered and introduced as a superlative supramolecular synthon which has interesting topology wherein the two extremities are occupied by two potentially coordinating groups. Diverse topologies ranging from a 1D coordination polymer, 2D chiral helicate and a 3D MOF with a unique array of porous nanoballs architecture were obtained and their gas adsorption properties were studied.
(CHIM 3) – UCL, 2012
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Garcia, Yann, Devillers, Michel, Fustin, Charles-André, Marchand , Jacqueline, Goovaerts , Etienne, Linares, Jorge, Ksenofontov, Vadim.
Subjects/Keywords: 57Fe Mössbauer spectroscopy; Self assembly; Coordination polymers; Supramolecular chemistry; Spin-transition; 1-2-4-triazole; Amino acids
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Dirtu, M. M. (2012). Engineering and functionality of new molecular materials based on 1, 2, 4-triazole building blocks from molecular sensors to metal-organic/amino-acid frameworks. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/115165
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Dirtu, Marinela Maria. “Engineering and functionality of new molecular materials based on 1, 2, 4-triazole building blocks from molecular sensors to metal-organic/amino-acid frameworks.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/115165.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Dirtu, Marinela Maria. “Engineering and functionality of new molecular materials based on 1, 2, 4-triazole building blocks from molecular sensors to metal-organic/amino-acid frameworks.” 2012. Web. 16 Apr 2021.
Vancouver:
Dirtu MM. Engineering and functionality of new molecular materials based on 1, 2, 4-triazole building blocks from molecular sensors to metal-organic/amino-acid frameworks. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/115165.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Dirtu MM. Engineering and functionality of new molecular materials based on 1, 2, 4-triazole building blocks from molecular sensors to metal-organic/amino-acid frameworks. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/115165
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
5.
Philippart, Freddi.
Vers la synthèse totale du Polycavernoside A.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/114623
► Towards the total synthesis of Polycavernoside A. Polycavernoside A is a powerful marine toxin discovered 20 years ago in the red alga Polycavernosa tsudai (=Gracilaria…
(more)
▼ Towards the total synthesis of Polycavernoside A.
Polycavernoside A is a powerful marine toxin discovered 20 years ago in the red alga Polycavernosa tsudai (=Gracilaria edulis).
For several years our laboratory is working on the total synthesis of this natural product. Its northern fragment having already been synthesised by Raphaël Dumeunier in our laboratory, we decided to prepare the southern part of the toxin by developing new methodologies in organic chemistry. Unprecedented preparations of tetrahydropyrans are therefore investigated, initially in a methodological view point and further in the total synthesis of the southern fragment of Polycavernoside A. The diastereoselective methodology developed for the preparation of those tetrahydropyrans is mainly based on two transformations, the ene reaction and the intermolecular Sakurai cyclisation (IMSC). By this way we hope to integrate the different substituents of the finale molecule and fix its stereochemistry. The main issue of this research is the better understanding of the reaction mechanisms and the transitions states of the investigated reactions, in order to develop a short and efficient pathway towards tetrahydropyrans. These cyclic compounds are quite common in natural products, like in the southern part of the Polycavernoside A.
In the second part of our report, the synthesis of the southern and the northern part of the Polycavernoside A are illustrated and also some experiments of the coupling between the two parts are investigated.
Depuis plusieurs années, notre laboratoire s’intéresse à l’élaboration d’une méthode facile, concise et efficace pour la synthèse totale du Polycavernoside A. Le Polycavernoside A est une toxine marine glycosidique, issue de deux algues rouges Gracilaria edulis (= Polycavernosa tsudai) et Acanthophora specifera.
Un chemin réactionnel original et efficace pour la synthèse du fragment nord de ce produit naturel a été élaboré par Raphaël Dumeunier durant sa thèse dans notre laboratoire. L’objectif de notre thèse est donc le développement d’une méthodologie diastéréosélective vers la préparation de tétrahydropyrannes, notamment le fragment sud du Polycavernoside A. Cette méthodologie est basée principalement sur deux transformations: une réaction ène et une condensation IMSC (réaction intermoléculaire de Sakurai), grâce auxquelles nous espérons pouvoir introduire les substituants présents dans la molécule finale et contrôler leur stéréochimie. L’enjeu principal de cette étude est une meilleure compréhension des mécanismes réactionnels, et donc des états de transition, de ces deux processus, afin de développer une voie rapide et efficace vers la synthèse des tétrahydropyrannes-cibles. Ces composés cycliques à 6 chaînons sont relativement courants dans de nombreux produits naturels de structures variées.
Dans la seconde partie de notre travail, nous décrirons l’application de cette méthodologie à la synthèse diastéréocontrôlée du fragment sud du Polycavernoside, ainsi que la préparation du fragment nord de ce même produit…
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Markó, Istvan, Gohy, Jean-François, Riant, Olivier, Ollevier, Thierry, Provins, Laurent, Lanners, Steve.
Subjects/Keywords: Réaction ène; Condensation IMSC; Synthèse totale du fragment sud du Polycavernoside A
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Philippart, F. (2012). Vers la synthèse totale du Polycavernoside A. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/114623
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Philippart, Freddi. “Vers la synthèse totale du Polycavernoside A.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/114623.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Philippart, Freddi. “Vers la synthèse totale du Polycavernoside A.” 2012. Web. 16 Apr 2021.
Vancouver:
Philippart F. Vers la synthèse totale du Polycavernoside A. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/114623.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Philippart F. Vers la synthèse totale du Polycavernoside A. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/114623
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
6.
Zanti, Giuseppe.
Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20).
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/108192
► The research presented in this thesis describes the computational DFT study of homo and bimetallic Pd(n)Au(m) clusters of low nuclearities. Many studies on such species…
(more)
▼ The research presented in this thesis describes the computational DFT study of homo and bimetallic Pd(n)Au(m) clusters of low nuclearities. Many studies on such species are already present in the literature but the originality of our approach rests on a detailed analysis of electronic structure. Thanks to these efforts, some answers and views have been brought to the many open questions that to day remain in this field.
The detailed electronic structure analysis has brought new features. The PdnAum clusters can be built step by step through simple concepts for chemists such as Lewis structures, resonance or hybridization. The Aum clusters have been described on basis of Au(2) dimeric units, which adjust themselves through donor-acceptor type interactions. This simplified model provides predictive information on the structural parameters as well as on the stability of these compounds. Introducing the back-bonding concept has highlighted the structural changes caused by the substitution of one Au atom by a Pd atom. The Pdn clusters, which are more difficult to describe due to the chemical inertness of Pd (saturated valence shell), have been built from sd1 hybrid orbitals, assuming overlap maximisation of the hybrids. Introduction of spin interactions brings an explanation to the increasing spin multiplicity observed for these clusters. Again, the most stable structures appear to be explained on the basis of smaller units (Pd(2), Pd(3)). The Pdn spin excess location was then used to predict the interaction with an Au atom, which bears an unpaired electron. Finally, all information collected after the study of pure completed by monosubstituted clusters has been used to understand the distribution of the various partners in mixed PdnAum clusters.
Resulting properties exhibit a logical and almost continuous evolution with the size and composition of the cluster. In this way, clusters with Pd-rich compositions adopt three-dimensional structures closed to Pdn clusters while Au-rich compositions favour pseudo-planar configurations. The choice of geometric descriptors showed that the PdcoreAushell structures correspond to the most stable situation as the uniform distribution or the segregation of the two metals are less favoured. Another interesting point is the fact that the mixed clusters are characterized by a gain in stability compared to their pure clusters counterparts. The evolution of stability as a function of the composition suggests a parabolic behaviour where the synergic effect is maximized for median compositions (n ≈ m).
In conclusion, although many issues remain in the broad area of metal clusters, this work lays down the foundation for future considerations. It has put forward an effective theoretical method guiding the analysis of such compounds and has shown the importance of a good understanding of the electronic structure in order to predict physico-chemical properties of these materials.
(CHIM 3) – UCL, 2012
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Peeters, Daniel, Gaigneaux, Eric, Devillers, Michel, Gonze, Xavier, Ceulemans, Arnout, Maurel, François.
Subjects/Keywords: Clusters; Gold; Palladium; Electronic structure
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Zanti, G. (2012). Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20). (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/108192
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Zanti, Giuseppe. “Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20).” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/108192.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Zanti, Giuseppe. “Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20).” 2012. Web. 16 Apr 2021.
Vancouver:
Zanti G. Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20). [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/108192.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Zanti G. Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20). [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/108192
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
7.
Sliwa, Aline.
Novel large ring bridged azetidinones : design, synthesis and biochemical evaluation against Penicillin Binding Proteins.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/106791
► Since the discovery of Penicillin, bacteria counteract the action of antibiotics leading to a worrisome situation about antibiotics efficiency. We focused our research on the…
(more)
▼ Since the discovery of Penicillin, bacteria counteract the action of antibiotics leading to a worrisome situation about antibiotics efficiency. We focused our research on the synthesis of non-traditional 1,3-bridged beta-lactam embedded into macrocycles as potential inhibitors of Penicillin Binding Proteins (PBPs). As the key-step of the macrocyclization, we have selected the Ring-Closing Metathesis (RCM) reaction. 12- to 22-Membered bicyclic beta-lactams were successfully synthesized by this strategy. We also unexpectedly observed bis-2-oxoazetidinyl macrocycles arising from a dimerization reaction under RCM conditions. Compounds from this last family revealed to be good inhibitors of the problematic methicillin-resistant Staphylococcus aureus (MRSA). In order to explain the biological results, the 3D structures of all the macrocycles were studied by quantum chemistry calculations, and docking experiments were also performed. Our results highlighted that the activity of the compounds is most probably related to their conformational adaptability.
The activity of our 1,3-bridged macrocycles suggests a way to design novel beta-lactam antibiotics with a planar amide bond, and without a carboxylic group, a model quite different from the previous model of reactivity of "the magical drug".
(CHIM 3) – UCL, 2011
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Marchand-Brynaert, Jacqueline, Gohy, Jean-François, De Kimpe, Norbert, Dive, Georges, Robiette, Raphael, Soumillion, Patrice.
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Sliwa, A. (2011). Novel large ring bridged azetidinones : design, synthesis and biochemical evaluation against Penicillin Binding Proteins. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/106791
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Sliwa, Aline. “Novel large ring bridged azetidinones : design, synthesis and biochemical evaluation against Penicillin Binding Proteins.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/106791.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Sliwa, Aline. “Novel large ring bridged azetidinones : design, synthesis and biochemical evaluation against Penicillin Binding Proteins.” 2011. Web. 16 Apr 2021.
Vancouver:
Sliwa A. Novel large ring bridged azetidinones : design, synthesis and biochemical evaluation against Penicillin Binding Proteins. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/106791.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Sliwa A. Novel large ring bridged azetidinones : design, synthesis and biochemical evaluation against Penicillin Binding Proteins. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/106791
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
8.
Duynslaegher, Catherine.
Experimental and numerical study of ammonia combustion.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/89103
► The problems of oil resources and CO2 emissions becoming increasingly alarming, the search for alternatives to fossil fuels is an important concern of our society.…
(more)
▼ The problems of oil resources and CO2 emissions becoming increasingly alarming, the search for alternatives to fossil fuels is an important concern of our society. Even though hydrogen has been recognized as a promising fuel, implementing a global hydrogen-based economy is at present a non-feasible approach unless a suitable storage medium could be found. To bypass such difficulties, the use of ammonia in a modified spark ignition engine has been suggested. Since hydrogen must still be produced to obtain ammonia in large amount, it can be seen as a H2 vector. The successful application of ammonia as an alternative transportation fuel should be based on a detailed understanding of its combustion characteristics. The main objective of this thesis is thus the study of the ammonia combustion reaction in several conditions of pressure and temperature.
First of all, a low pressure ammonia flames structure study allows a more fundamental investigation of the ammonia consumption and products formation pathways. The elaboration of a kinetic mechanism able to reproduce the experimentally observed phenomena is the main objective of this first part.
Then, the kinetic of ammonia under atmospheric pressure is investigated thanks to an ammonia laminar burning velocity study. Because of its low value, the laminar flame speed of ammonia in air is to date still unknown and in that way this part makes a significant contribution in the field of ammonia combustion research. This part allows also to validate the kinetic mechanism at atmospheric pressure.
Finally, the combustion of ammonia in a spark ignition engine is experimentally investigated. The effects of the compression ratio, the spark timing and the equivalence ratio on the exhaust gases composition and the engine performances are analyzed. Such a study has never been performed for ammonia to the best of our knowledge.
(CHIM 3) – UCL, 2011
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Vandooren, Jacques, Jeanmart, Hervé, Gaigneaux, Eric, Peeters, Daniel, Martin, Joseph, Puechberty, Daniel, Gicquel, Olivier.
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Duynslaegher, C. (2011). Experimental and numerical study of ammonia combustion. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/89103
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Duynslaegher, Catherine. “Experimental and numerical study of ammonia combustion.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/89103.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Duynslaegher, Catherine. “Experimental and numerical study of ammonia combustion.” 2011. Web. 16 Apr 2021.
Vancouver:
Duynslaegher C. Experimental and numerical study of ammonia combustion. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/89103.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Duynslaegher C. Experimental and numerical study of ammonia combustion. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/89103
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
9.
Pospisil, Tomas.
Cyclopropanes : novel methodologies for their preparation and applications.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/86000
► This Thesis is focused on the preparation of organic molecules that contain a three-membered ring system called: cyclopropane. This structural motive is ubiquitous in a…
(more)
▼ This Thesis is focused on the preparation of organic molecules that contain a three-membered ring system called: cyclopropane.
This structural motive is ubiquitous in a large number of natural and unnatural products; many of them are biologically active and/or synthetically useful compounds.
Our goal was to develop novel methodologies that would enable a short and efficient preparation of substituted, racemic or optically pure, cyclopropane derivatives. This approach should also be easily applicable to the synthesis of interesting (from the biological activity) naturally occurring compounds.
Initially, we focused on the synthesis of racemic trans-1,2-disubstituted cyclopropanes. Our original approach to these motives started with a key building block, trans-bis-tributylstannylcyclopropane, which was used as a formal “dianionic” synthon. Using this methodology, the marine occurring natural products, dictyopterene A and dictyopterene B, were prepared. These two compounds are sexual pheromones of brown algae and they are used essentially in the perfumery industry due to their very specific ocean like odour.
To accomplish the synthesis of optically enriched cyclopropane subunits, we decided to engineer a novel chiral auxiliary suitable for the palladium-mediated cyclopropanation of vinylboronates.
A first generation library of chiral auxiliaries, based on the diethanolamine scaffold was evaluated. A preliminary correlation between the structural changes in the chiral ligands and the enantioselectivity of the cyclopropanation reaction was established and suggested that this type of chiral ligands was a very promising basic scaffold that could lead to ligands with high facial discriminating abilities, i.e. that will give the cyclopropanation products with high ee and high yield in concise synthetic sequence (1-2 steps) and from easily available starting materials.
(CHIM 3) – UCL, 2011
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Marko, Istvan, Gohy, Jean-François, Elias, Benjamin, Maes, Bert, Marchand-Brynaert, Jacqueline, Pietruszka, Jörg.
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Record Details
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Pospisil, T. (2011). Cyclopropanes : novel methodologies for their preparation and applications. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/86000
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Pospisil, Tomas. “Cyclopropanes : novel methodologies for their preparation and applications.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/86000.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Pospisil, Tomas. “Cyclopropanes : novel methodologies for their preparation and applications.” 2011. Web. 16 Apr 2021.
Vancouver:
Pospisil T. Cyclopropanes : novel methodologies for their preparation and applications. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/86000.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Pospisil T. Cyclopropanes : novel methodologies for their preparation and applications. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/86000
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
10.
Leplat, Nicolas.
Étude expérimentale et numérique des flammes d’éthanol, d’acétaldéhyde et d’acide acétique : effets de leur addition à des flammes riches d’éthylène.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/85990
► Nowadays, hydrocarbons combustion is the main way to generate energy for human activities. However, the intensive use of the combustion leads to abundant emission of…
(more)
▼ Nowadays, hydrocarbons combustion is the main way to generate energy for human activities. However, the intensive use of the combustion leads to abundant emission of pollutants. CO2 is a pollutant inevitably formed in hydrocarbon flames. This chemical compound is a greenhouse effect gas, which is responsible to the detected global warming. Biofuels, such is ethanol, are actually widely used, as they do not increase the total quantity of green house effect gases in the atmosphere. Indeed, these fuels can be produced from biomass, which have absorbed equivalent amounts of CO2 than those emitted during their combustion. Mainly for this reason, the use of biofuels is currently in constant progress. Therefore, the understanding of each step of ethanol combustion and the development of an accurate oxidation mechanism are of high importance. So, one of the aims of this study consists to investigate ethanol and acetaldehyde combustion, this second chemical compound being an key intermediate specie during the ethanol combustion.
Polycyclic Aromatic Hydrocarbons (PAHs) and soot are also pollutants formed in rich hydrocarbon flames. Their emissions are hazardous as these species are responsible for both health and environmental problems. It has been previously identified that some fuel additives, such as oxygenated compounds, can inhibit the production of those pollutants. The understanding of such process requires fundamental studies of the effects of additives on PAHs and soot formation in flames. So, the second main objective of the present research consists to investigate effects of the addition of oxygenated compounds (ethanol, acetaldehyde and acetic acid) on soot precursors in ethylene flames.
To achieve these goals, for each oxygenated fuels, the experimental mole fraction profiles of chemical species (stable, radical and intermediates) have been firstly measured in three flat premixed flames which have different equivalence ratios. Those flames are stabilised at low pressure on a burner. The experimental setup used consists of a molecular beam mass spectrometer system (MBMS) combined with electron impact ionization (EI). Those results give information about chemical process involved during the combustion of those fuels.
Then, the effects of the addition of those oxygenated compounds in ethylene flames have been experimentally investigated. Identification and measurement of chemical species in additive/C2H4/O2/Ar flames have been performed by Gas Chromatography at different heights above the burner. This experimental method has allowed the detection of small hydrocarbons, such as PAHs and soot precursors. In order to identify the additive’s effects, those experimental results were compared with data measured in two C2H4/O2/Ar flames.
Finally, a kinetic study was conducted in order to simulate all experimental data measured. It required the building of a kinetic mechanism composed of 857 reactions involving 141 chemical species, by thoroughly reviewing the available literature. This mechanism ensures a reasonably good…
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Vandooren, Jacques, Peeters, Daniel, Gaigneaux, Eric, Leyssens, Tom, Van Tiggelen, Pierre, Dagaut, Philippe, Konnov, Alexander.
Subjects/Keywords: Combustion; Structures de flammes; Mécanisme cinétique; Hydrocarbures aromatiques polycycliques; Ethanol; Acétaldéhyde; Acide acétiques
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Leplat, N. (2011). Étude expérimentale et numérique des flammes d’éthanol, d’acétaldéhyde et d’acide acétique : effets de leur addition à des flammes riches d’éthylène. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/85990
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Leplat, Nicolas. “Étude expérimentale et numérique des flammes d’éthanol, d’acétaldéhyde et d’acide acétique : effets de leur addition à des flammes riches d’éthylène.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/85990.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Leplat, Nicolas. “Étude expérimentale et numérique des flammes d’éthanol, d’acétaldéhyde et d’acide acétique : effets de leur addition à des flammes riches d’éthylène.” 2011. Web. 16 Apr 2021.
Vancouver:
Leplat N. Étude expérimentale et numérique des flammes d’éthanol, d’acétaldéhyde et d’acide acétique : effets de leur addition à des flammes riches d’éthylène. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/85990.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Leplat N. Étude expérimentale et numérique des flammes d’éthanol, d’acétaldéhyde et d’acide acétique : effets de leur addition à des flammes riches d’éthylène. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/85990
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
11.
Hensenne, Peter.
Développement d'une réaction chimique pour un nanolaboratoire.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/76141
► There is a growing interest among the scientific community to develop new technologies for adapting devices to the nanoscopic scale. This interest stems not only…
(more)
▼ There is a growing interest among the scientific community to develop new technologies for adapting devices to the nanoscopic scale. This interest stems not only from the potential applications expected by going to the nanometre scale, but also from a basic interest in the new properties exhibited by materials when confined spatially. The goal of the project is thus to develop a nano-lab in which a catalytic reaction could be performed and monitored by fluorescence analyses. This nano-lab would allow us to study the behaviour of molecules (diffusion, reactivity...) when confined into a nanoscopic environment.
The nano-lab consists in a nano-surface (silicon) that is designed thanks to linker (trichlorosilanes monolayer) able to be functionalized by a ligand (dipyridine moieties). The system of ligand has been synthesized and studied into the Tsuji-Trost allylic alkylation reaction and into the Tsuji-Trost alloc moieties deprotection reaction. Based on preliminary studies, BODIPY fluorophores were envisioned for monitoring the reaction by FRET (Förster Resonance Energy Transfer). Then, because of synthetic issues due to the fragility of these organic dyes, we turned to fluorogenic substrates (coumarin) to eventually established the reaction system. The grafting of the catalyst onto the trichlorosilane monolayer has been studied in order to complete the building of the nano-lab.
L’intérêt de la communauté scientifique pour le développement de nouvelles
technologies à l’échelle nanoscopique est croissant. Cette préoccupation provient
non seulement des applications potentielles de ces matériaux nanoscopiques
mais aussi de leurs remarquables propriétés. Le but du projet est donc de
développer un nanolaboratoire dans lequel une réaction catalytique sera réalisée
et suivie par des analyses de fluorescence, ce qui nous permettra d’étudier le
comportement des molécules (diffusion, réactivité…) dans un milieu
nanoscopique.
Le nanolaboratoire consiste en une nanosurface (silicium) modifiée par un
espaceur (monocouche de trichlorosilane) susceptible d’être fonctionnalisé par un
ligand (de type dipyridine). Le système de ligand a été synthétisé et étudié dans
les réactions d’alkylation allylique et de déprotection du groupement alloc de type
Tsuji-Trost. En se basant sur des travaux préliminaires, les fluorophores de type
BODIPY ont été envisagés pour suivre la réaction par FRET (Förster Resonance
Energy Transfer). Dû à des problèmes de synthèse causés par la fragilité de ces
colorants organiques, nous nous sommes tournés vers des substrats
fluorogéniques de type coumarines pour parvenir finalement à établir le système
réactionnel. Le greffage du catalyseur sur la monocouche de trichlorosilane a été
étudié dans le but de terminer la construction du nanolaboratoire.
(CHIM 3) – UCL, 2011
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Riant, Olivier, Gohy, Jean-François, Marchand-Brynaert, Jacqueline, Jonas, Alain, Dehaen, Wim, Jullien, Ludovic.
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Record Details
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Hensenne, P. (2011). Développement d'une réaction chimique pour un nanolaboratoire. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/76141
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Hensenne, Peter. “Développement d'une réaction chimique pour un nanolaboratoire.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/76141.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Hensenne, Peter. “Développement d'une réaction chimique pour un nanolaboratoire.” 2011. Web. 16 Apr 2021.
Vancouver:
Hensenne P. Développement d'une réaction chimique pour un nanolaboratoire. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/76141.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Hensenne P. Développement d'une réaction chimique pour un nanolaboratoire. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/76141
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
12.
Deligne, Nicolas.
Nouvelles voies de synthèse de vanadates et de niobates luminescents au départ de précurseurs moléculaires ou hybrides.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/69105
► This research deals with the development of two unconventional preparation routes to AVO4 vanadates and ANbO4 niobates which are luminescent materials when doped with lanthanide…
(more)
▼ This research deals with the development of two unconventional preparation routes to AVO4 vanadates and ANbO4 niobates which are luminescent materials when doped with lanthanide ions. In addition, the preparation of A3NbO7 niobates was also implemented because of the great interest of such materials in the field of ion conductivity.
The two developed preparation routes are based on coordination compounds which are used as precursors to incorporate the metals A, V and/or Nb. These precursors were either implemented alone in an aqueous preparation route called molecular precursors method or blended into a cellulose derivative matrix (hybrid precursor route). In this work, the two different routes were first used for the synthesis of bulk metallates and secondly for the preparation of thin films. Finally, an adaptation of the molecular precursor method was developed for the preparation of YVO4:Eu coated submicrometric silica spheres. This research has been therefore subdivided in five main parts.
The first part deals with the synthesis of stoichiometrically well-defined coordination compounds of formula (NH4)A(EDTA)(H2O)x (A = Y, La, Pr, Sm, Eu, Gd, Dy, Er, Tm, Lu), (gu)3[Nb(O2)2(EDTAO2)]•2.5H2O and (NH4)[V(O)2(EDTA)]•0,5H2O.
Secondly, these complexes were involved in the molecular precursor route. The method consists in using, for the different elements to be incorporated, molecular precursors which are coordination compounds. The final compound is obtained by an appropriate thermal treatment under dry air of a solid homogeneous mixture of the different complexes. This process was implemented for the preparation of bulk AVO4, ANbO4 and A3NbO7 as well as for the synthesis of solid solutions Y1-xAxVO4 and doped vanadates AVO4:Ln and Y1-xAxVO4:Eu. Luminescent properties of these doped materials were investigated and a significant effect of the host lattice composition was put forward.
The hybrid precursor route was developed in the third part of this work. This method consists in the preparation of a mixed aqueous solution containing the synthesized complexes and a cellulose derivative named HPMC (hydroxypropylmethyl cellulose). After a freeze-drying step, the obtained solid is calcined under dry air to form the final metallate. After preliminary studies on the interaction between the cellulose derivative and the complexes, this route was applied for the synthesis of bulk Y1-xBixVO4 and Y1 xLaxVO4. For the Y1-xBixVO4 system, when the cellulose derivative was used, solid solutions have been obtained for a broader composition range than when the molecular precursors route was used.
In the last two parts of this thesis, we focused on to the diversification of the forms in which these materials may be prepared. This research is particularly crucial for functional materials such as luminescent compounds. The two preparation routes developed above can indeed be easily adapted for the preparation of thin films by means of a spin-coating process of precursors solutions. By this way, we successfully prepared Y2O3, V2O5, YVO4 and…
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Devillers, Michel, Gohy, Jean-François, Garcia, Yann, Cloots, Rudy, Gaigneaux, Eric, Wignacourt, Jean-Pierre.
Subjects/Keywords: Vanadates; Niobates; Précurseurs moléculaires
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Record Details
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Deligne, N. (2011). Nouvelles voies de synthèse de vanadates et de niobates luminescents au départ de précurseurs moléculaires ou hybrides. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/69105
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Deligne, Nicolas. “Nouvelles voies de synthèse de vanadates et de niobates luminescents au départ de précurseurs moléculaires ou hybrides.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/69105.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Deligne, Nicolas. “Nouvelles voies de synthèse de vanadates et de niobates luminescents au départ de précurseurs moléculaires ou hybrides.” 2011. Web. 16 Apr 2021.
Vancouver:
Deligne N. Nouvelles voies de synthèse de vanadates et de niobates luminescents au départ de précurseurs moléculaires ou hybrides. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/69105.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Deligne N. Nouvelles voies de synthèse de vanadates et de niobates luminescents au départ de précurseurs moléculaires ou hybrides. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/69105
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
13.
Harmsen, Bram.
Co-crystal applications : stability and separation. A case study of Ibuprofen : Levetiracetam.
Degree: 2018, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/202803
► Studying solid state forms is a research topic that remains important in the pharmaceutical industry. Properties such as melting point, hygroscopicity, potential polymorphs and more…
(more)
▼ Studying solid state forms is a research topic that remains important in the pharmaceutical industry. Properties such as melting point, hygroscopicity, potential polymorphs and more help to understand potential pitfalls that might influence an APIs (Active Pharmaceutical Ingredient) stability. When a drug gets compromised due to a lack of knowlegde (e.g. bad storage conditions or a polymorphic transition), the dosage can no longer be guaranteed and have disastrous effects. Therefore, knowledge and control of those parameters is key. In this work, starting with the basics, the solid state landscape of a research pharmaceutical, its thermal stability and crystallization behaviour was investigated. The thermal stability of the research chemical was improved by screening for potential co-crystals. As these crystals are different from the pure parent material(s), they also exhibit different physicochemical properties. Many APIs are chiral and when they are combined with a chiral co-former an enantiospecific co-crystal can form, resulting in a separation of the API's enantiomers. The model system of Ibuprofen with Levetiracetam exhibited this enantiospecific behaviour and was studied in detail by constructing its phase diagrams. When the phase zones were identified a scaled up process was designed, which included waste recuperation and racemization of the undesired enantiomer. This system demonstrates that co-crystallization as a resolution tool is a reliable and robust alternative to known methodologies
(SC - Sciences) – UCL, 2018
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Luis, Patricia, Couch, Rick, Leyssens, Tom, Devaux, Jacques, Meekes, Hugo.
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Harmsen, B. (2018). Co-crystal applications : stability and separation. A case study of Ibuprofen : Levetiracetam. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/202803
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Harmsen, Bram. “Co-crystal applications : stability and separation. A case study of Ibuprofen : Levetiracetam.” 2018. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/202803.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Harmsen, Bram. “Co-crystal applications : stability and separation. A case study of Ibuprofen : Levetiracetam.” 2018. Web. 16 Apr 2021.
Vancouver:
Harmsen B. Co-crystal applications : stability and separation. A case study of Ibuprofen : Levetiracetam. [Internet] [Thesis]. Université Catholique de Louvain; 2018. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/202803.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Harmsen B. Co-crystal applications : stability and separation. A case study of Ibuprofen : Levetiracetam. [Thesis]. Université Catholique de Louvain; 2018. Available from: http://hdl.handle.net/2078.1/202803
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
14.
Smet, Coryse.
Vers la synthèse totale de l'halichlorine.
Degree: 2016, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/173835
► L’halichlorine, molécule isolée d’une éponge marine, a suscité notre intérêt non seulement pour son activité biologique attrayante, mais également pour le véritable défi que représente…
(more)
▼ L’halichlorine, molécule isolée d’une éponge marine, a suscité notre intérêt non seulement pour son activité biologique attrayante, mais également pour le véritable défi que représente sa synthèse. Cet alcaloïde, en inhibant l’induction des VCAM-1 (Vascular Cell Adhesion Molecule-1), pourrait être utile pour le traitement de certains cancers. Au cours de cette thèse, nous avons progressé de manière significative via une synthèse originale pour atteindre un intermédiaire clé. Dans ce but, plusieurs méthodologies développées au sein de notre laboratoire ont été utilisées, comme la formation d’orthoesters ou encore une réaction de spiroannélation. Diverses autres méthodologies intéressantes ont également fait l’objet de beaucoup d’attentions, dont un réarrangement de Beckmann et une contraction de sulfure d’Eschenmoser.
(SC - Sciences) – UCL, 2016
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Gohy, Jean-François, Elias, Benjamin, Joseph, Delphine, Evano, Gwilherm, Marko, Istvan.
Subjects/Keywords: Halichlorine; Synthèse totale; Produit naturel; Halichondria okadaï
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Smet, C. (2016). Vers la synthèse totale de l'halichlorine. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/173835
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Smet, Coryse. “Vers la synthèse totale de l'halichlorine.” 2016. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/173835.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Smet, Coryse. “Vers la synthèse totale de l'halichlorine.” 2016. Web. 16 Apr 2021.
Vancouver:
Smet C. Vers la synthèse totale de l'halichlorine. [Internet] [Thesis]. Université Catholique de Louvain; 2016. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/173835.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Smet C. Vers la synthèse totale de l'halichlorine. [Thesis]. Université Catholique de Louvain; 2016. Available from: http://hdl.handle.net/2078.1/173835
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
15.
Catrinescu, Gheorghe Cristian.
Novel diastereoselective allylations as key-steps in the total synthesis of natural products.
Degree: 2014, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/142463
► Polyhydroxylated fragments are ubiquitous in natural products possessing interesting biological properties. Two patterns can be distinguished: skipped and contiguous polyols. On the subject of contiguous…
(more)
▼ Polyhydroxylated fragments are ubiquitous in natural products possessing interesting biological properties. Two patterns can be distinguished: skipped and contiguous polyols. On the subject of contiguous polyols, it was decided, at the onset of this work, to investigate possible pathways to access, at will, all four possible diastereoisomers of a 1,2,3-triol. The likelihood of obtaining amino diols was also envisioned. Therefore we examined the addition of achiral allylstannanes (type II, III) to functionalized chiral aldehydes. This approach led to the synthesis of anti-syn (type II allylstannane) and syn-anti (type III allylstannane) triols as well as syn-syn amino diols (type II allylstannane) with good diastereoselectivities. This efficient new tool was then employed in the total synthesis of natural bioactive products. The first target was (-)-cleistenolide and its synthesis was accomplished in 12 linear steps starting from D-mannitol. The formal total synthesis of a second natural compound, herbarumin I, was achieved and required 9 linear steps starting from 1-pentene. This tool was also used in the synthesis of 2,6-trans-THPs, a part of our synthetic endeavour towards the total synthesis of amphidinol 3. Our efforts in their preparation and subsequent functionalization complete this thesis.
(SC - Sciences) – UCL, 2014
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Gaigneaux, Eric, Colobert, Françoise, Verniest, Guido, Robiette, Raphaël, Marko, Istvan.
Subjects/Keywords: Amphidinols (-)-cleistenolide herbarumin; Allylstannane; Skipped contiguous polyols
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Catrinescu, G. C. (2014). Novel diastereoselective allylations as key-steps in the total synthesis of natural products. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/142463
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Catrinescu, Gheorghe Cristian. “Novel diastereoselective allylations as key-steps in the total synthesis of natural products.” 2014. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/142463.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Catrinescu, Gheorghe Cristian. “Novel diastereoselective allylations as key-steps in the total synthesis of natural products.” 2014. Web. 16 Apr 2021.
Vancouver:
Catrinescu GC. Novel diastereoselective allylations as key-steps in the total synthesis of natural products. [Internet] [Thesis]. Université Catholique de Louvain; 2014. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/142463.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Catrinescu GC. Novel diastereoselective allylations as key-steps in the total synthesis of natural products. [Thesis]. Université Catholique de Louvain; 2014. Available from: http://hdl.handle.net/2078.1/142463
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
16.
Nahra, Fady.
Study of new reactions catalysed by copper(I) complexes : investigation of domino catalysis- and dual catalysis-type reactions.
Degree: 2013, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/133426
► In this thesis we are going to first discuss the application of a copper hydride system, which was previously developed in our lab, to new…
(more)
▼ In this thesis we are going to first discuss the application of a copper hydride system, which was previously developed in our lab, to new Michael acceptors bearing a nitrogen group on the double bond. We are equally going to illustrate the development of a new cooperative dual catalysis strategy based on a CuI/Pd0 system. This strategy allowed us to successfully access α-allylated ketones diastereoselectively as well as enantioselectively.
In a later point, we are also going to examine the development of two synthetic pathways to generate unprecedented (NHC)CuI bifluoride complexes. We tested the activity of these complexes in several known CuI-catalyzed reactions, and consequently established the first CuI-catalyzed diastereoselective allylation of (R)-N-tert-butanesulfinyl aldimines. The method enables efficient, simple and general synthesis of enantiomerically enriched homoallylic amines at room temperature in high yields.
(CHIM 3) – UCL, 2013
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Riant, Olivier, Gohy, Jean-François, Elias, Benjamin, Poli, Giovanni, Gagosz, Fabien, Van Der Eycken, Johan.
Subjects/Keywords: Asymmetric catalysis; Copper(I); Palladium(0); Domino catalysis; Dual catalysis
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Nahra, F. (2013). Study of new reactions catalysed by copper(I) complexes : investigation of domino catalysis- and dual catalysis-type reactions. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/133426
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Nahra, Fady. “Study of new reactions catalysed by copper(I) complexes : investigation of domino catalysis- and dual catalysis-type reactions.” 2013. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/133426.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Nahra, Fady. “Study of new reactions catalysed by copper(I) complexes : investigation of domino catalysis- and dual catalysis-type reactions.” 2013. Web. 16 Apr 2021.
Vancouver:
Nahra F. Study of new reactions catalysed by copper(I) complexes : investigation of domino catalysis- and dual catalysis-type reactions. [Internet] [Thesis]. Université Catholique de Louvain; 2013. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/133426.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Nahra F. Study of new reactions catalysed by copper(I) complexes : investigation of domino catalysis- and dual catalysis-type reactions. [Thesis]. Université Catholique de Louvain; 2013. Available from: http://hdl.handle.net/2078.1/133426
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
17.
Soetens, Mathieu.
Development of transition metal catalysts for bioorthogonal reactions.
Degree: 2019, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/216769
► Cancer is a metabolic disease characterized by immortal cells which develop in a non-controlled and anarchic fashion after undergoing mutations and alterations in their DNA.…
(more)
▼ Cancer is a metabolic disease characterized by immortal cells which develop in a non-controlled and anarchic fashion after undergoing mutations and alterations in their DNA. These cells tend to grow in masses which are called tumours. It has emerged as one of the ten main causes of mortality along with cardiovascular diseases. A lot of effort has been put both into academia and into industry to respond to this societal challenge in order to both understand their biology and to find a way to selectively kill these cells. A lot of cytotoxic agents and metallodrugs target DNA as cancer cells divide faster than healthy cells, but severe side effects are observed on patients. The next generation of chemotherapy will be more selective to avoid side effects. Our response to this challenge is to use transition metal catalysis to selectively activate anti-cancer molecules inside cancer cells. Initially, iridium catalysts capable of reducing imines with the metabolic cofactor NADH were developed. Following this, palladium catalysts capable of deprotecting allyl carbamates in a buffered aqueous medium using the glutathione cofactor were developed. We showed that we were able to activate fluorescent molecules selectively inside cancer cells. Our best candidates were stable, cell permeable and non-toxic in addition to remaining active in the cellular medium. Then, with satisfactory catalysts in hand, we moved on to therapeutical applications. In one hand, we attempted to catalytically inhibit enzymes using our catalysts and in the other hand, we tried to gain selectivity by making prodrugs capable of recognizing cancer-specific proteins at the cell surface.
(SC - Sciences) – UCL, 2019
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Riant, Olivier, Papot, Sébastien, Garcia, Yann, Singleton, Michael, Madder, Annemieke, Frédéric, Raphael.
Subjects/Keywords: Prodrugs; Bioorthogonal chemistry; Palladium; Iridium; Organometallic catalysis
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Soetens, M. (2019). Development of transition metal catalysts for bioorthogonal reactions. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/216769
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Soetens, Mathieu. “Development of transition metal catalysts for bioorthogonal reactions.” 2019. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/216769.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Soetens, Mathieu. “Development of transition metal catalysts for bioorthogonal reactions.” 2019. Web. 16 Apr 2021.
Vancouver:
Soetens M. Development of transition metal catalysts for bioorthogonal reactions. [Internet] [Thesis]. Université Catholique de Louvain; 2019. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/216769.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Soetens M. Development of transition metal catalysts for bioorthogonal reactions. [Thesis]. Université Catholique de Louvain; 2019. Available from: http://hdl.handle.net/2078.1/216769
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
18.
Leloux, Sébastien.
Study of reactions catalyzed by copper(I) complexes : hydrosilylation, hydroboration and investigation of carbonylation reactions.
Degree: 2019, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/216753
► During this thesis, three different projects have been realized. In the first one, new NHC-Capped Cyclodextrins (ICyDs) Cu complexes developed by Sollogoub and his team…
(more)
▼ During this thesis, three different projects have been realized. In the first one, new NHC-Capped Cyclodextrins (ICyDs) Cu complexes developed by Sollogoub and his team have been applied in different reactions for which our group had known success in the past. It was decided to study a copper catalyzed reaction that could be performed under mild conditions (temperature, pressure, etc.) but also in which side reactions were reduced to a minimum. Among the previous works done in the group, hydrosilylation of ketones answers all of these criteria and was therefore selected for this study. In the second chapter of this project, our mechanistic in situ experience was further developed through the hydroboration of alkynes using Cu complexes. Finally, in the last chapter of this project, several new copper based catalytic methodologies have been studied. Starting with alkynes (as they were used during the second part of this thesis), carbonylation reactions were performed using a dual Cu/Pd catalysis as previously studied in our team. In addition, alkenes were also used for the development of new methodologies leading to the synthesis of alpha,beta-unsaturated ketones.
(SC - Sciences) – UCL, 2019
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Garcia, Yann, Sollogoub, Matthieu, Skrydstrup, Troels, Hermans, Sophie, Riant, Olivier, Leyssens, Tom.
Subjects/Keywords: Copper; Hydrosilylation; Hydroboration
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Leloux, S. (2019). Study of reactions catalyzed by copper(I) complexes : hydrosilylation, hydroboration and investigation of carbonylation reactions. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/216753
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Leloux, Sébastien. “Study of reactions catalyzed by copper(I) complexes : hydrosilylation, hydroboration and investigation of carbonylation reactions.” 2019. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/216753.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Leloux, Sébastien. “Study of reactions catalyzed by copper(I) complexes : hydrosilylation, hydroboration and investigation of carbonylation reactions.” 2019. Web. 16 Apr 2021.
Vancouver:
Leloux S. Study of reactions catalyzed by copper(I) complexes : hydrosilylation, hydroboration and investigation of carbonylation reactions. [Internet] [Thesis]. Université Catholique de Louvain; 2019. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/216753.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Leloux S. Study of reactions catalyzed by copper(I) complexes : hydrosilylation, hydroboration and investigation of carbonylation reactions. [Thesis]. Université Catholique de Louvain; 2019. Available from: http://hdl.handle.net/2078.1/216753
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
19.
Vanhorenbeke, Béatrice.
Design of carbon nanotube-based sensors for the detection of catalytic activity.
Degree: 2016, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/182844
► Due to their outstanding properties, carbon nanotubes are being considered as promising materials in various fields. Namely, their quasi-one-dimensionality and high surface/volume ratio make them…
(more)
▼ Due to their outstanding properties, carbon nanotubes are being considered as promising materials in various fields. Namely, their quasi-one-dimensionality and high surface/volume ratio make them ideal candidates for sensing applications. In this thesis, we used carbon nanotubes as sensors for the real-time detection of a catalyzed chemical transformation. In order to do this, carbon nanotube supported catalysts were prepared using appropriate functionalization methods. The catalyst preparation was carefully analyzed by appropriate characterization techniques, such as Raman spectroscopy, X-ray photoelectron spectroscopy and thermogravimetric analysis. Moreover, the materials were also electrically characterized at each step of the catalyst preparation process. This electrical characterization allowed us to study the influence of the different steps of the functionalization strategy on the nanotube conductivity. These materials were then tested in catalysis. The activity and recyclability of the catalysts were monitored by gas chromatography. Finally, we demonstrated in this thesis the possibility of using carbon nanotubes as sensors for the in situ detection of catalytic activity. For this purpose, real-time electrical measurements were recorded during the catalytic reaction. The catalytic activity was revealed by fluctuations of the nanotube conductivity over time.
(SC - Sciences) – UCL, 2016
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Hermans, Sophie, Martel, Richard, Devaux, Jacques, Reber, Christian, Chenevier, Pascale, Vlad, Alexandru, Badia, Antonella.
Subjects/Keywords: Carbon nanotubes; Sensors; Catalysis; Functionalization; Electrical transport
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Vanhorenbeke, B. (2016). Design of carbon nanotube-based sensors for the detection of catalytic activity. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/182844
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Vanhorenbeke, Béatrice. “Design of carbon nanotube-based sensors for the detection of catalytic activity.” 2016. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/182844.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Vanhorenbeke, Béatrice. “Design of carbon nanotube-based sensors for the detection of catalytic activity.” 2016. Web. 16 Apr 2021.
Vancouver:
Vanhorenbeke B. Design of carbon nanotube-based sensors for the detection of catalytic activity. [Internet] [Thesis]. Université Catholique de Louvain; 2016. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/182844.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Vanhorenbeke B. Design of carbon nanotube-based sensors for the detection of catalytic activity. [Thesis]. Université Catholique de Louvain; 2016. Available from: http://hdl.handle.net/2078.1/182844
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
20.
Karier, Pol.
Towards the total synthesis of amphidinol 3.
Degree: 2016, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/182157
► Amphidinols are intriguing amphiphilic architectures exhibiting a variety of biological actions, including antifungal, hemolytic, cytotoxic and ichthyotoxic activities. These properties derive from the disturbance of…
(more)
▼ Amphidinols are intriguing amphiphilic architectures exhibiting a variety of biological actions, including antifungal, hemolytic, cytotoxic and ichthyotoxic activities. These properties derive from the disturbance of the arrangement of the lipid bilayer of the targeted cells. The third member of the family, amphidinol 3 was discovered in 1996 and is, to date, the only amphidinol whose stereochemistry is fully established. The synthesis of the C15-C30 polyol domain, as well as the preparation of the C31-C40 trans-configured tetraydropyran will be discussed throughout this work.
(SC - Sciences) – UCL, 2016
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Markó, István E., Garcia, Yann, Elias, Benjamin, Singleton, Michael, Colobert, Francoise, Evano, Gwilherm.
Subjects/Keywords: Amphidinol; Total synthesis; Dinoflagellate
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Karier, P. (2016). Towards the total synthesis of amphidinol 3. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/182157
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Karier, Pol. “Towards the total synthesis of amphidinol 3.” 2016. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/182157.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Karier, Pol. “Towards the total synthesis of amphidinol 3.” 2016. Web. 16 Apr 2021.
Vancouver:
Karier P. Towards the total synthesis of amphidinol 3. [Internet] [Thesis]. Université Catholique de Louvain; 2016. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/182157.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Karier P. Towards the total synthesis of amphidinol 3. [Thesis]. Université Catholique de Louvain; 2016. Available from: http://hdl.handle.net/2078.1/182157
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
21.
Drooghaag, Xavier.
Reactive processing of polyolefins : a study on polymers and model compounds.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/118668
► This dissertation discloses how N-bromosuccinimide mediates the grafting of maleic anhydride onto isotactic polypropylene, providing highly-grafted stereoblock polypropylene elastomers with preserved molecular weights. The grafts…
(more)
▼ This dissertation discloses how N-bromosuccinimide mediates the grafting of maleic anhydride onto isotactic polypropylene, providing highly-grafted stereoblock polypropylene elastomers with preserved molecular weights. The grafts structure was identified as isolated succinic rings distributed all along the polymer chains whereas small anhydride oligomers grafted almost exclusively at chain extremities are usually observed with common grafting processes. On the contrary, it was also observed that N-bromosuccinimide had almost no effect on the grafting mechanism of maleic anhydride onto high-density polyethylene. Several attempts were made to substitute bromine radicals in the grafting reaction by other mediating species borrowed from controlled radical polymerization techniques. A five-unit oligomer of propylene, 2,4,6,8,10-pentamethylundecane, was also synthesized and the corresponding diastereoisomers were isolated as model compounds of polypropylene of various tacticities. Three side-projects involving either the materials or skills developed in this thesis are also presented.
(CHIM 3) – UCL, 2012
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Marchand-Brynaert, Jacqueline, Godard, Pierre, Gohy, Jean-François, Devaux, Jacques, Champagne, Benoît, Alexandre, Michaël, Roekens, Bertrand.
Subjects/Keywords: Polypropylene; Maleic anhydride; Grafting; Model compound
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APA ·
Chicago ·
MLA ·
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Export
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APA (6th Edition):
Drooghaag, X. (2012). Reactive processing of polyolefins : a study on polymers and model compounds. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/118668
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Drooghaag, Xavier. “Reactive processing of polyolefins : a study on polymers and model compounds.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/118668.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Drooghaag, Xavier. “Reactive processing of polyolefins : a study on polymers and model compounds.” 2012. Web. 16 Apr 2021.
Vancouver:
Drooghaag X. Reactive processing of polyolefins : a study on polymers and model compounds. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/118668.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Drooghaag X. Reactive processing of polyolefins : a study on polymers and model compounds. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/118668
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
22.
Dosuna Rodríguez, Inmaculada.
Heterogeneous acid catalysts for acetylation in glycerol.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/111675
► Glycerol is a low value molecule obtained as a sub-product from the manufacture of first generation biodiesel. The surplus of glycerol can be revaluated by…
(more)
▼ Glycerol is a low value molecule obtained as a sub-product from the manufacture of first generation biodiesel. The surplus of glycerol can be revaluated by its acetylation, forming high value molecules (monoacetin, diacetin and triacetin) which can be used in the polymer industry and as a biodiesel among other possibilities.
This work provides a comparative study of the catalytic performances of a large scope of acid solids in the esterification of acetic acid with an excess of glycerol.
Aluminium containing formulations (niobium oxide supported on commercial silica-alumina, aluminium phosphate) presented an inhibitory effect probably due to the amphoteric character of aluminium-bonded hydroxyl groups and the presence of basic sites where the limiting reagent (acetic acid) could be strongly adsorbed being unavailable for the reaction.
Tungstated zirconia samples presented an inert behaviour, due to the deactivation of active sites by strong adsorption of water or glycerol.
Tungstophosphoric acid immobilised by sol-gel technique in zirconia and silica, presented a high resistance to leaching. The strong interaction between the heteropolyacid and the matrixes led, however, to the lowering of the heteropolyacid acid strength, resulting in an absence of catalytic activity.
Sulphated zirconia synthesised by sol-gel showed good catalytic activity. The lower the density of acid sites, the higher the catalytic activity. Nevertheless, these solids were undesirably deactivated due to sulphur leaching, thus also bringing an undesired contamination of the final products.
Commercial ion exchange resins with strong Brønsted acid sites also exhibited very high catalytic performances. The lower the crosslinkage, the higher the resin swelling in the reaction medium, and thus the higher the catalytic activity. These solids were recyclable and active even in presence of water.
(AGRO 3) – UCL, 2012
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Gaigneaux , Éric, Devillers, Michel, Van Der Voort, Pascal, Marchand-Brynaert, Jacqueline, Gerin, Patrick, Santacesaria, Elio, De Wilde, Juray.
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Dosuna Rodríguez, I. (2012). Heterogeneous acid catalysts for acetylation in glycerol. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/111675
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Dosuna Rodríguez, Inmaculada. “Heterogeneous acid catalysts for acetylation in glycerol.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/111675.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Dosuna Rodríguez, Inmaculada. “Heterogeneous acid catalysts for acetylation in glycerol.” 2012. Web. 16 Apr 2021.
Vancouver:
Dosuna Rodríguez I. Heterogeneous acid catalysts for acetylation in glycerol. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/111675.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Dosuna Rodríguez I. Heterogeneous acid catalysts for acetylation in glycerol. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/111675
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
23.
Hermant, Thomas.
Catalyse de réactions conjuguées par les complexes de cuivre (I) : méthodologies et applications.
Degree: 2012, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/110414
► During this work, we studied the catalytic activity of air stable copper (I) fluoride complexes. These were used in different reactions, mainly in adding nucleophile…
(more)
▼ During this work, we studied the catalytic activity of air stable copper (I) fluoride complexes. These were used in different reactions, mainly in adding nucleophile onto a variety of electrophiles.
We synthesized silylated allenes with very good diastereomeric ration (> 95/5) by adding a silylated derivative on enynes wich contain an asymmetric propargyl alcohol.
A new air stable and ready to use copper catalyst was also prepared during this work. Addition of nucleophilic species such as alkyl, hydrides or silyl on electrophiles (aldehydes, ketones and enynes) by this new generation of asymmetric catalysts has been evaluated successfully. Good enantiomeric selectivities are obtained
The methodology of the laboratory was finally applied to the preparation of a synthetic intermediate of Marrubiine.
Au cours de cette thèse, nous avons étudié l’activité catalytique des fluorures de cuivre (I) stables à l’air de type CuF(PPh3)3. Ces derniers ont été utilisés pour additionner un dérivé silylé sur un ényne porteur d’un alcool propargylique asymétrique. Par cette méthodologie, des allènes silylés ont été synthétisés avec un rapport diastéréoisomérique atteignant 95/5.
Nous avons également préparé un nouveau catalyseur au cuivre de structure [(L1L2)Cu(L1L2)]+HF2-. Ce complexe, soluble en milieu organique, est stable à l’air et prêt à l’emploi. Lorsqu’il est complexé par des ligands chiraux, il permet l’addition de nucléophiles allyliques, silylés ou encore d’un hydrure sur différents électrophiles (aldéhydes, cétones ou enynes). Les produits formés ont été isolés avec de très bonnes sélectivités comprises entre 70 et 99 % d’excès énantiomérique.
La méthodologie développée au cours de cette thèse a également été mise en valeur lors de la préparation d’un intermédiaire de synthèse de la Marrubiine. Ce principe actif, extrait du Marrube Blanc, possède de nombreuses vertus thérapeutiques.
(CHIM 3) – UCL, 2012
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Riant, Olivier, Gohy, Jean-François, Marinetti, Angela, Marchand-Brynaert, Jacqueline, Gagosz, Fabien, Vincent, Stéphane, Elias, Benjamin.
Subjects/Keywords: Catalyse; Cuivre; Complexe; Cationique; Enyne; Allène
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Hermant, T. (2012). Catalyse de réactions conjuguées par les complexes de cuivre (I) : méthodologies et applications. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/110414
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Hermant, Thomas. “Catalyse de réactions conjuguées par les complexes de cuivre (I) : méthodologies et applications.” 2012. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/110414.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Hermant, Thomas. “Catalyse de réactions conjuguées par les complexes de cuivre (I) : méthodologies et applications.” 2012. Web. 16 Apr 2021.
Vancouver:
Hermant T. Catalyse de réactions conjuguées par les complexes de cuivre (I) : méthodologies et applications. [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/110414.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Hermant T. Catalyse de réactions conjuguées par les complexes de cuivre (I) : méthodologies et applications. [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/110414
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
24.
Detilleux, Valéry.
Experimental and kinetic modeling study of benzene and toluene combustion in premixed, laminar and one-dimensional flames.
Degree: 2011, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/73291
► Flames that have an excess of fuel, compared to the stoichiometry, or where the mixing between fuel and oxidizer is imperfect, result in an incomplete…
(more)
▼ Flames that have an excess of fuel, compared to the stoichiometry, or where the mixing between fuel and oxidizer is imperfect, result in an incomplete combustion. The excess of fuel is principally converted into Polycyclic Aromatic Hydrocarbons (PAH), which are molecular precursors of soot. In addition to the carcinogenic hazard of PAH, soot promotes the atmospheric solar heating or causes the coating of combustion chambers in the industry. It is therefore very important to understand mechanisms involved in the chemistry of soot formation. Such a comprehension is the main goal of this work investigating chemical pathways involved in benzene and toluene flames.
One-dimensional, premixed and laminar benzene-oxygen-argon and toluene-oxygen-argon flames have been stabilized at different equivalence ratios and at low pressure on a flat flame burner. Experimental structures have been determined by Gas Chromatography, enabling the detection of major products of combustion, small hydrocarbon intermediates and chemical species from C6Hx to first PAH. Molecular Beam Mass Spectrometry has been used to detect chemical species of interest that could not be followed by Gas Chromatography. These species include the phenoxy radical, the benzoquinone, the benzyl radical and the fulvenallene, which are all thought to be important intermediates of benzene and toluene combustion. Finally, a device has been developed for the measurement of soot concentration in rich hydrocarbon flames.
A detailed kinetic model for the aromatic consumption and the soot formation has been developed on the basis of a comprehensive literature survey. The good predictive capability of the proposed model has been verified by comparing its predictions to the experimental flame structures. Comparative reaction rate analyses have been carried out to determine the main reaction pathways occurring in aromatic flames.
The comprehensive experimental and kinetic modeling studies presented in this work improve the current understanding of aromatic flame chemistry, and will help the future works devoted to aromatic oxidation, as well as those on PAH and soot formation.
(CHIM 3) – UCL, 2011
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Vandooren, Jacques, Peeters, Daniel, Gohy, Jean-François, Van Tiggelen, Pierre, Jeanmart, Hervé, Paillard, Claude, Gasnot, Laurent.
Subjects/Keywords: Benzene; Toluene; Flame; Flamme; Combustion; PAH; HAP; Soot; Suie
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Detilleux, V. (2011). Experimental and kinetic modeling study of benzene and toluene combustion in premixed, laminar and one-dimensional flames. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/73291
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Detilleux, Valéry. “Experimental and kinetic modeling study of benzene and toluene combustion in premixed, laminar and one-dimensional flames.” 2011. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/73291.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Detilleux, Valéry. “Experimental and kinetic modeling study of benzene and toluene combustion in premixed, laminar and one-dimensional flames.” 2011. Web. 16 Apr 2021.
Vancouver:
Detilleux V. Experimental and kinetic modeling study of benzene and toluene combustion in premixed, laminar and one-dimensional flames. [Internet] [Thesis]. Université Catholique de Louvain; 2011. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/73291.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Detilleux V. Experimental and kinetic modeling study of benzene and toluene combustion in premixed, laminar and one-dimensional flames. [Thesis]. Université Catholique de Louvain; 2011. Available from: http://hdl.handle.net/2078.1/73291
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
25.
Smeets, Valentin.
New synthetic approaches to efficient Ti–SiO2 epoxidation catalysts.
Degree: 2019, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/222923
► The epoxidation of olefins is a subject of considerable fundamental and industrial interest. This reaction is catalyzed by heterogeneous Ti–SiO2 titanosilicates, which first emerged in…
(more)
▼ The epoxidation of olefins is a subject of considerable fundamental and industrial interest. This reaction is catalyzed by heterogeneous Ti–SiO2 titanosilicates, which first emerged in the 1970s. Among these catalysts, TS-1 zeolite is industrially used for the production of propylene oxide. Despite its attractive performance, this microporous catalyst is restrained to lower substrates. Intensive efforts were therefore made in the past decades to develop new Ti–SiO2 catalysts with improved catalytic performance and expanded reaction scope. This thesis tackles challenges that are omnipresent in the current research on titanosilicate catalysts. On the one hand, the intricate relation between the physico-chemical properties and the catalytic performance is highlighted. New Ti–SiO2 prepared by atypical sol-gel techniques are investigated, with a particular focus on selected properties, namely the surface functionality, the texture, and the macroscopic morphology. Each catalyst is characterized in details and its catalytic performance is evaluated and compared to the benchmark TS-1 catalyst. Even though hydrogen peroxide is an attractive oxidant for the green epoxidation of olefins, its current industrial production raises some questions. Therefore, on the second hand, the chemo-enzymatic formation of epoxides with in situ production of H2O2 is investigated. Exploiting the spray-drying technique, TS-1 crystals are assembled into hollow microstructures that can accommodate large amounts of enzymes on a single solid. This controlled design is shown to be effective for chemo-enzymatic epoxidation and appears as a promising way to develop new multifunctional materials.
(AGRO - Sciences agronomiques et ingénierie biologique) – UCL, 2019
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Ingénierie biologique, agronomique et environnementale, Debecker, Damien, Gaigneaux, Eric, Garcia, Yann, Devillers, Michel, Aprile, Carmela, Dusselier, Michiel, Boissière, Cédric.
Subjects/Keywords: Heterogeneous catalysis; Olefin epoxidation; Titanosilicates; Sol-gel chemistry; Hierarchically porous materials; Chemo-enzymatic catalysis
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Smeets, V. (2019). New synthetic approaches to efficient Ti–SiO2 epoxidation catalysts. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/222923
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Smeets, Valentin. “New synthetic approaches to efficient Ti–SiO2 epoxidation catalysts.” 2019. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/222923.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Smeets, Valentin. “New synthetic approaches to efficient Ti–SiO2 epoxidation catalysts.” 2019. Web. 16 Apr 2021.
Vancouver:
Smeets V. New synthetic approaches to efficient Ti–SiO2 epoxidation catalysts. [Internet] [Thesis]. Université Catholique de Louvain; 2019. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/222923.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Smeets V. New synthetic approaches to efficient Ti–SiO2 epoxidation catalysts. [Thesis]. Université Catholique de Louvain; 2019. Available from: http://hdl.handle.net/2078.1/222923
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
26.
Nagy, Audric.
Copper-catalysed transformations of acylsilanes.
Degree: 2018, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/210253
► Acylsilanes are an intriguing class of organic compounds that display unique reactivity modes. For several years, innovative methodologies have been developed using their key features…
(more)
▼ Acylsilanes are an intriguing class of organic compounds that display unique reactivity modes. For several years, innovative methodologies have been developed using their key features for the synthesis of valuable organic molecules. Yet, the copper chemistry of acylsilanes is underdeveloped in the literature. Furthermore, when this PhD work was initiated, no copper-catalysed reaction of acylsilane had been reported. Our research groups being active in the fields of copper chemistry and silicon chemistry, it was decided to take a look in the copper chemistry of acylsilanes with the goal of discovering copper-catalysed transformations. The first project was devoted to the development of a copper-catalysed domino reaction with acylsilanes as electrophilic partners. These investigations led us to work on various subprojects related to copper-catalysis, acylsilanes and silicon chemistry. The second project led us to the discovery of an intriguing copper-catalysed 1,2-selective hydroborylation reaction of acylsilanes. The resulting -hydroxysilanes are obtained with great typical yield, enantioselectivity and regioselectivity. These optically active products were further derivatised with excellent chiral transfer. Finally, every section of this thesis is concluded with a summary of the developed reactions, their advantages and limitations. Additionally, suggestions of new related research topics are given.
(SC - Sciences) – UCL, 2018
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Leyssens, Tom, Riant, Olivier, Garcia, Yann, Robiette, Raphaël, Harutyunyan, Syuzana, Winne, Johan.
Subjects/Keywords: Acylsilanes; Silyl enol ethers; Alpha-hydroxysilanes; Organic chemistry; Catalysis; Copper
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Nagy, A. (2018). Copper-catalysed transformations of acylsilanes. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/210253
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Nagy, Audric. “Copper-catalysed transformations of acylsilanes.” 2018. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/210253.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Nagy, Audric. “Copper-catalysed transformations of acylsilanes.” 2018. Web. 16 Apr 2021.
Vancouver:
Nagy A. Copper-catalysed transformations of acylsilanes. [Internet] [Thesis]. Université Catholique de Louvain; 2018. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/210253.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Nagy A. Copper-catalysed transformations of acylsilanes. [Thesis]. Université Catholique de Louvain; 2018. Available from: http://hdl.handle.net/2078.1/210253
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
27.
van den Biggelaar, , Ludivine.
Design of heterogeneous biocatalysts for flow chemical processes : towards a greener transamination reaction.
Degree: 2018, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/207945
► For decades, the drug manufacture has been using polluting reagents that are released in the environment. Nowadays, greener production modes are being targeted. In this…
(more)
▼ For decades, the drug manufacture has been using polluting reagents that are released in the environment. Nowadays, greener production modes are being targeted. In this direction, biocatalysis probably represents a decisive opportunity. Transaminases (TA) have already been used for the green production of chiral amines (drug precursors). There are however two main limitations to the use of TA in such organic synthesis: (1) the difficulty to recover the free enzymes after a batch reaction, (2) the low yield for chiral amines, owing to unfavourable thermodynamics. To tackle these challenges, the main objectives of this thesis are (i) developing heterogeneous biocatalysts using suitable carriers and efficient immobilization methods; (ii) developing a continuous flow biocatalytic reactor for transamination reactions; (iii) implementing strategies for the displacement of the thermodynamic equilibrium. TA are efficiently immobilized onto APTES-functionalized macrocellular silica monoliths through covalent grafting using glutaraldehyde as a coupling agent. The monoliths can be mounted in a simple flow set-up. In the flow mode, TA are active and stable over long period of time, and enantioselectivity is retained. An optimized APTES functionalization method was developed, that allowed to boost the enzymatic activity. The influence of temperature on enzyme impregnation was also highlighted. Hydrophobic silica monoliths were studied as supports, but, hydrophobicity appeared to have no impact on the enzyme immobilization and activity. Using a three-enzyme system to consume the co-product, the equilibrium could be displaced towards the formation of the chiral amine. In flow mode, such strategy was successful only when the added enzymes were free and in high concentration. Finally, we show that our flow system can be used to immobilize another type of enzyme (tyrosine ammonia-lyase), to design other efficient flow mode biocatalytic processes for amine synthesis.
(AGRO - Sciences agronomiques et ingénierie biologique) – UCL, 2018
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Ingénierie biologique, agronomique et environnementale, Debecker, Damien, Soumillion, Patrice, Garcia, Yann, Gaigneaux, Eric, Luis Alconero, Patricia, Paradisi, Francesca, Boissière, Cédric.
Subjects/Keywords: Enzyme immobilization; Flow chemistry; Transaminase; Biocatalysis; Silanization; Silica monolith
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
van den Biggelaar, , L. (2018). Design of heterogeneous biocatalysts for flow chemical processes : towards a greener transamination reaction. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/207945
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
van den Biggelaar, , Ludivine. “Design of heterogeneous biocatalysts for flow chemical processes : towards a greener transamination reaction.” 2018. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/207945.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
van den Biggelaar, , Ludivine. “Design of heterogeneous biocatalysts for flow chemical processes : towards a greener transamination reaction.” 2018. Web. 16 Apr 2021.
Vancouver:
van den Biggelaar, L. Design of heterogeneous biocatalysts for flow chemical processes : towards a greener transamination reaction. [Internet] [Thesis]. Université Catholique de Louvain; 2018. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/207945.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
van den Biggelaar, L. Design of heterogeneous biocatalysts for flow chemical processes : towards a greener transamination reaction. [Thesis]. Université Catholique de Louvain; 2018. Available from: http://hdl.handle.net/2078.1/207945
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
28.
Rasson, Corentin.
Copper(I) complexes : design, synthesis, application and development of a copper-catalyzed coupling reaction.
Degree: 2018, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/198387
► The development of new catalytic methods as well as the identification of catalytic active species and reaction intermediates have been an area of intense research…
(more)
▼ The development of new catalytic methods as well as the identification of catalytic active species and reaction intermediates have been an area of intense research in the past decades. Our interest in this topic lead us to the establishment of this thesis. The first objective was to develop a synthesis for the obtention of bench-stable well-defined copper(I) diphosphine bifluoride complexes. We were able to synthesize a wide library of complexes using achiral and chiral diphosphine ligands and use them as preactivated copper catalyst in various copper-catalyzed 1,2 and 1,4-addition reactions. We also used them for the identification of a copper-hydride species that was previously mistakenly identified in the literature. In the second chapter we developed a one-pot copper-catalyzed domino borylation/aldolisation/elimination reaction leading to the formation of Morita-Baylis-Hillman (MBH) adducts. The optimization and study of the scope for this reaction lead us to the synthesis of a wide range of MBH adducts derived from aldehydes. The application of this method to ketones allowed us to access previously unattainable structures via the classical MBH reaction. We also demonstrate the applicability of this process to aldimines and acylsilanes to yield respectively aza-MBH adducts and quaternary alpha-hydroxysilanes.
(SC - Sciences) – UCL, 2018
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Riant, Olivier, Gohy, Jean-François, Elias, Benjamin, Leyssens, Tom, Evano, Gwilherm, Tortosa, Mariola.
Subjects/Keywords: Copper; Morita-Baylis-Hillman; Catalysis; Organic; Chemistry
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Rasson, C. (2018). Copper(I) complexes : design, synthesis, application and development of a copper-catalyzed coupling reaction. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/198387
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Rasson, Corentin. “Copper(I) complexes : design, synthesis, application and development of a copper-catalyzed coupling reaction.” 2018. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/198387.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Rasson, Corentin. “Copper(I) complexes : design, synthesis, application and development of a copper-catalyzed coupling reaction.” 2018. Web. 16 Apr 2021.
Vancouver:
Rasson C. Copper(I) complexes : design, synthesis, application and development of a copper-catalyzed coupling reaction. [Internet] [Thesis]. Université Catholique de Louvain; 2018. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/198387.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Rasson C. Copper(I) complexes : design, synthesis, application and development of a copper-catalyzed coupling reaction. [Thesis]. Université Catholique de Louvain; 2018. Available from: http://hdl.handle.net/2078.1/198387
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
29.
Tumanova, Natalia.
Challenges in cocrystallization of chiral compounds : cocrystals of amino acids and profens.
Degree: 2017, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/196732
► Cocrystals are of interest to pharmaceutical industry as they allow varying pharmacological properties of drugs. Moreover, owing to some specific properties, cocrystals can be used…
(more)
▼ Cocrystals are of interest to pharmaceutical industry as they allow varying pharmacological properties of drugs. Moreover, owing to some specific properties, cocrystals can be used in other crystallization applications, e.g., as a purification tool or for chiral resolution. Since a substantial part of drugs is chiral, the question how they respond to cocrystallization with chiral or nonchiral co-formers is a hot topic for pharmaceutical industry. In this work we focus on amino acids as potential co-formers for chiral drugs, studying the fundamental aspects of cocrystallization, i.e. how the zwitterionic nature of amino acids affects the structural aspects of cocrystallization, the role of chirality and its influence on the cocrystallization outcome. Working on naproxen/proline cocrystals, we established that amino acids are the most efficient co-formers when cocrystallized with compounds that contain a carboxylic group. In the second part of this work, we studied flurbiprofen/proline system, cocrystallizing various combinations of enantiopure as well as racemic forms of the initial compounds. Flurbiprofen is a non-steroidal anti-inflammatory drug. Proline is an amino acid widely used as a coformer for various applications. Combining enantiopure and racemic flurbiprofen and proline, we discovered 18 new crystal structures. A unique combination of state-of-the-art characterization techniques, comprising variable temperature in situ X-ray diffraction and in situ ball-milling, along with other methods and DFT calculations, was indispensable for identifying all the phases. The results of this work can be of interest to pharmaceutical industry as they deal with real drugs and important aspects of cocrystallization and chirality, essential for the development of various pharmaceutical applications of cocrystals.
(SC - Sciences) – UCL, 2017
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Leyssens, Tom, Devaux, Jacques, Filinchuk, Yaroslav, Wouters, Johan, Hautier, Geoffroy, Emmerling, Franziska.
Record Details
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Record Details
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Tumanova, N. (2017). Challenges in cocrystallization of chiral compounds : cocrystals of amino acids and profens. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/196732
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Tumanova, Natalia. “Challenges in cocrystallization of chiral compounds : cocrystals of amino acids and profens.” 2017. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/196732.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Tumanova, Natalia. “Challenges in cocrystallization of chiral compounds : cocrystals of amino acids and profens.” 2017. Web. 16 Apr 2021.
Vancouver:
Tumanova N. Challenges in cocrystallization of chiral compounds : cocrystals of amino acids and profens. [Internet] [Thesis]. Université Catholique de Louvain; 2017. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/196732.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Tumanova N. Challenges in cocrystallization of chiral compounds : cocrystals of amino acids and profens. [Thesis]. Université Catholique de Louvain; 2017. Available from: http://hdl.handle.net/2078.1/196732
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Université Catholique de Louvain
30.
Boreux, Arnaud.
Synthesis and functionalization of Allenes and Enones catalyzed by gold and copper complexes.
Degree: 2017, Université Catholique de Louvain
URL: http://hdl.handle.net/2078.1/191762
► During the last decades, transition metal catalysis has become an essen-tial tool in organic synthesis. Each year, thousands of publications re-port the development of new…
(more)
▼ During the last decades, transition metal catalysis has become an essen-tial tool in organic synthesis. Each year, thousands of publications re-port the development of new reactions mediated by metal complexes. This manuscript depicts our contribution to this field. The first chapter presents a general comparison of the reactivity of coinage metals (Cu, Ag, Au) complexes in catalysis, with a special focus on their ability to perform electrophilic activation (Au) or nucleophilic transfer (Cu) reactions. Representative examples are given to illustrate these concepts. In the second part of the manuscript, the synthesis of trifluoromethylat-ed allenes and enones by gold(I) catalysis is reported. A general method for the preparation of CF3-allenes has been developed based on a gold(I)-mediated 1,5-hydride shift. The scope and limitations of the method, as well as some subsequent transformations of the products are described. Using similar substrates, a gold(I)-catalyzed [3,3]-acetate rearrangement was applied to the preparation of CF3-enones. The employment of this method into a one-pot procedure involving a subsequent Diels-Alder reaction is also reported. The third part focuses on the copper(I)-catalyzed borofunctionalization of allenes. The recent reports from the literature are reviewed, and our contributions to this area of research are described through the study of a new copper(I)-catalyzed allene boroacylation method. Finally, preliminary results on the elaboration of a copper(I)/gold(I) cat-alytic one-pot process are presented.
(SC - Sciences) – UCL, 2017
Advisors/Committee Members: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, UCL - Faculté des Sciences, Riant, Olivier, Gagosz, Fabien, Hermans, Sophie, Garcia, Yann, Nay, Bastien, Alexakis, Alexandre, Dumeunier, Raphaël.
Record Details
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Share »
Record Details
Similar Records
Cite
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Boreux, A. (2017). Synthesis and functionalization of Allenes and Enones catalyzed by gold and copper complexes. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/191762
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Chicago Manual of Style (16th Edition):
Boreux, Arnaud. “Synthesis and functionalization of Allenes and Enones catalyzed by gold and copper complexes.” 2017. Thesis, Université Catholique de Louvain. Accessed April 16, 2021.
http://hdl.handle.net/2078.1/191762.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Boreux, Arnaud. “Synthesis and functionalization of Allenes and Enones catalyzed by gold and copper complexes.” 2017. Web. 16 Apr 2021.
Vancouver:
Boreux A. Synthesis and functionalization of Allenes and Enones catalyzed by gold and copper complexes. [Internet] [Thesis]. Université Catholique de Louvain; 2017. [cited 2021 Apr 16].
Available from: http://hdl.handle.net/2078.1/191762.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Boreux A. Synthesis and functionalization of Allenes and Enones catalyzed by gold and copper complexes. [Thesis]. Université Catholique de Louvain; 2017. Available from: http://hdl.handle.net/2078.1/191762
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
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