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University of Adelaide
1.
Bloch, Witold Marek.
Engineering flexible metal-organic frameworks from methylene-hinged ligands.
Degree: 2014, University of Adelaide
URL: http://hdl.handle.net/2440/98710
► This thesis focuses on the synthesis of functional materials composed of ligands that possess a methylene hinge – a flexible link between two coordinating groups…
(more)
▼ This thesis focuses on the synthesis of functional materials composed of ligands that possess a methylene hinge – a flexible link between two coordinating groups – and the capacity to form a six-membered chelate ring with transition metals that moderates structural flexibility. A significant portion of this work characterises and explores the properties of a class of functional materials called
metal-
organic frameworks (MOFs). By utilising methylene-hinged ligands, MOFs are designed that contain intrinsic flexibility and consequently interesting guest exchange and gas adsorption properties. The first methylene-hinged ligand described, di-2-pyrazinylmethane, exhibited an exceptionally rich coordination chemistry with silver(I). Appropriate conditions led to the crystallisation of three isostructural 3-D silver(I) MOFs with large 1-D channels. Although these materials lacked permanent porosity, they possessed the ability to undergo guest-induced structural contraction and expansion. This remarkable solid-state behaviour was related to the chemistry of the guest. The theme of structural flexibility is continued in subsequent chapters which describe the structural flexibility and gas adsorption properties of several MOF materials composed of Cu(II), Co(II), Ni(II), or Mn(II) and the ligand bis(4-(4-carboxyphenyl)-1H-pyrazolyl)methane or bis(4-(4-carboxyphenyl)-3,5-dimethyl-1H-pyrazolyl)methane. Some of the work reported in chapter 3 that deserves particular attention is the exceptional CO₂/N₂ selectivity of a Cu(II) MOF. This material undergoes post-synthetic structural contraction to achieve pore dimensions capable of discriminating between CO₂ and N₂ based on their respective kinetic diameters. Another noteworthy material is described in chapter 4; a flexible Mn(II) MOF capable of quantitative post-synthetic
metal binding with preservation of single-crystallinity. The framework flexibility of this material allowed elucidation of the primary coordination sphere of the grafted
metal ion and subsequent solid-state transformations by X-ray crystallography. A large portion of this thesis demonstrates and emphasises the positive impact of structural flexibility in MOFs as functional host materials. Chapters 5 and 6 describe methylene-hinged compounds from the viewpoint of synthetic precursors to more complex ligands that contain a fused pyrazino[2,3-b]indolizine or indolizino[2,3-b]quinoxaline core. The synthesis,
metal complexes, and corresponding solid-state structures of a series of these ligands are described.
Advisors/Committee Members: Sumby, Christopher James (advisor), School of Chemistry and Physics (school).
Subjects/Keywords: metal-organic frameworks
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APA (6th Edition):
Bloch, W. M. (2014). Engineering flexible metal-organic frameworks from methylene-hinged ligands. (Thesis). University of Adelaide. Retrieved from http://hdl.handle.net/2440/98710
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):
Bloch, Witold Marek. “Engineering flexible metal-organic frameworks from methylene-hinged ligands.” 2014. Thesis, University of Adelaide. Accessed February 27, 2021.
http://hdl.handle.net/2440/98710.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Bloch, Witold Marek. “Engineering flexible metal-organic frameworks from methylene-hinged ligands.” 2014. Web. 27 Feb 2021.
Vancouver:
Bloch WM. Engineering flexible metal-organic frameworks from methylene-hinged ligands. [Internet] [Thesis]. University of Adelaide; 2014. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/2440/98710.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Bloch WM. Engineering flexible metal-organic frameworks from methylene-hinged ligands. [Thesis]. University of Adelaide; 2014. Available from: http://hdl.handle.net/2440/98710
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Boston College
2.
Tang, Yang.
Formation mechanism of incorporating metal nanoparticles
Into highly stable Metal-Organic-Frameworks.
Degree: MS, Chemistry, 2012, Boston College
URL: http://dlib.bc.edu/islandora/object/bc-ir:101217
► Incorporating shape and size controlled metal nanoparticles (NPs) into metal-organic-frameworks (MOFs) shows great potential in heterogeneous catalysis. The combination of ordered nanoporous structure of MOFs…
(more)
▼ Incorporating shape and size controlled
metal
nanoparticles (NPs) into
metal-
organic-
frameworks (MOFs) shows
great potential in heterogeneous catalysis. The combination of
ordered nanoporous structure of MOFs and the well-defined surfaces
of
metal NPs provides a new tool to modulate the catalysis on the
metal surface. Due to the large pore size, framework flexibility
and selective interaction with gas molecules, MOFs have been widely
used for gas storage with high selectivity. Among which have been
developed to date, Zeolitic Imidazolate
Frameworks-8 (ZIF-8) and
UiO-66 show advantageous properties. The solvent resistivity and
high thermal stability makes them stand out to be good candidates
as shell materials in core shell catalysts. In our work, we
developed an efficient way to create a yolk-shell structure of Pd
nanoparticles in ZIF-8 and, at the same time, a method to
incorporate the shape/size controlled Pt nanoparticles into
well-defined octahedral UiO-66 nanocrystals with the control of
concentration and dispersion. The formation mechanisms of both
yolk-shell and core-shell structures were also studied in the
work.
Advisors/Committee Members: Chia-Kuang Tsung (Thesis advisor).
Subjects/Keywords: Metal nanoparticles; Metal-organic-frameworks
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APA ·
Chicago ·
MLA ·
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APA (6th Edition):
Tang, Y. (2012). Formation mechanism of incorporating metal nanoparticles
Into highly stable Metal-Organic-Frameworks. (Masters Thesis). Boston College. Retrieved from http://dlib.bc.edu/islandora/object/bc-ir:101217
Chicago Manual of Style (16th Edition):
Tang, Yang. “Formation mechanism of incorporating metal nanoparticles
Into highly stable Metal-Organic-Frameworks.” 2012. Masters Thesis, Boston College. Accessed February 27, 2021.
http://dlib.bc.edu/islandora/object/bc-ir:101217.
MLA Handbook (7th Edition):
Tang, Yang. “Formation mechanism of incorporating metal nanoparticles
Into highly stable Metal-Organic-Frameworks.” 2012. Web. 27 Feb 2021.
Vancouver:
Tang Y. Formation mechanism of incorporating metal nanoparticles
Into highly stable Metal-Organic-Frameworks. [Internet] [Masters thesis]. Boston College; 2012. [cited 2021 Feb 27].
Available from: http://dlib.bc.edu/islandora/object/bc-ir:101217.
Council of Science Editors:
Tang Y. Formation mechanism of incorporating metal nanoparticles
Into highly stable Metal-Organic-Frameworks. [Masters Thesis]. Boston College; 2012. Available from: http://dlib.bc.edu/islandora/object/bc-ir:101217

Texas A&M University
3.
Park, Jinhee.
Design, Synthesis, and Characterization of Porous Metal-Organic Materials.
Degree: PhD, Chemistry, 2013, Texas A&M University
URL: http://hdl.handle.net/1969.1/149436
► Porous metal-organic materials (MOMs) are assembled through coordination between two types of building units, metal or metal-containing nodes and organic linkers. Metal-organic frameworks (MOFs) have…
(more)
▼ Porous
metal-
organic materials (MOMs) are assembled through coordination between two types of building units,
metal or
metal-containing nodes and
organic linkers.
Metal-
organic frameworks (MOFs) have 3-D infinite structures and are especially known for high porosity and enormous surface area, leading to diverse applications such as selective gas separation, gas storage and catalysis. In contrast,
metal-
organic polygons/polyhedra (MOPs) as discrete molecular coordination assemblies are soluble in certain solvents, allowing us to study their solution-chemistry.
In the first project, a microporous MOF with 1-dimensional (1D) bridging helical chain secondary building units (SBUs) shows facile transition from micro- to mesoporosity upon activation conditions. The quickly activated MOF shows permanent microporosity while the slow removal of coordinated aqua ligand results in formation of the mesopores in the microporous MOF.
Second, a strategy to introduce not only the functional groups but also functionalized meso-cavities into microporous MOFs through
metal-ligand-fragment coassembly has been studied. With this functionalization, the interior of the MOFs can be tuned by a wide range of functional groups on the ligand fragments, including polar and ionic ones. Depending on the functional groups on the ligand fragments, the introduced cavities can be extended to mesopores in a controllable manner.
Third, a MOF constructed from dicopper paddlewheels and a predesigned ligand bearing carboxylate, pyridine, and amide groups enables selective adsorption of CO2 over CH4 and high H2 adsorption. The cooperative catalytic activity in a tandem one-pot deacetalization-Knoevenagel condensation was demonstrated.
In the fourth and fifth section, an optically and thermally switchable azobenzene was introduced into a MOF and MOPs, respectively. The freshly synthesized MOF adsorbed a significant amount of CO2. Upon light irradiation, the adsorbed gas molecules were squeezed out of the MOF due to the change of conformation of the azobenzene groups inside the pores. The adsorbent returned to its original state when allowed to stay with gentle heating. In addition, solubility of srMOPs was optically controlled by trans-cis isomerization of the azobenzene moieties. Interestingly, guest molecules were trapped during cis to trans isomerization and released in the trans to cis conversion. This srMOP can be applied to uses requiring stimuli responsive capture and release of guest molecules, such as in controlled drug delivery systems.
Finally, an
organic linker with multiple conformations was used to synthesize both single and core-shell molecular squares, whose formations were controlled by reaction temperatures. Intriguingly the core-shell structure assembly was successfully employed as a template to prepare a heterobimetallic assembly, in which the
metal substitution occurred exclusively in the core. This work might pave the way for the exploration of enzyme-mimicking molecular catalysts.
Advisors/Committee Members: Zhou, Hong-Cai Joe (advisor), Balbuena, Perla (committee member), Clearfield, Abraham (committee member), Darensbourg, Donald J. (committee member).
Subjects/Keywords: Metal-organic frameworks; Metal-organic polyhedra
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Park, J. (2013). Design, Synthesis, and Characterization of Porous Metal-Organic Materials. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/149436
Chicago Manual of Style (16th Edition):
Park, Jinhee. “Design, Synthesis, and Characterization of Porous Metal-Organic Materials.” 2013. Doctoral Dissertation, Texas A&M University. Accessed February 27, 2021.
http://hdl.handle.net/1969.1/149436.
MLA Handbook (7th Edition):
Park, Jinhee. “Design, Synthesis, and Characterization of Porous Metal-Organic Materials.” 2013. Web. 27 Feb 2021.
Vancouver:
Park J. Design, Synthesis, and Characterization of Porous Metal-Organic Materials. [Internet] [Doctoral dissertation]. Texas A&M University; 2013. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1969.1/149436.
Council of Science Editors:
Park J. Design, Synthesis, and Characterization of Porous Metal-Organic Materials. [Doctoral Dissertation]. Texas A&M University; 2013. Available from: http://hdl.handle.net/1969.1/149436
4.
Boissonnault, Jake.
Functionality and Functionalization of Metal – Organic Frameworks.
Degree: PhD, Chemistry, 2018, University of Michigan
URL: http://hdl.handle.net/2027.42/146095
► Metal—organic frameworks (MOFs) are a relatively new class of materials based upon organic linkers bridging metal clusters or ions to create a 2D or 3D…
(more)
▼ Metal—
organic frameworks (MOFs) are a relatively new class of materials based upon
organic linkers bridging
metal clusters or ions to create a 2D or 3D structure. The most exceptional materials among MOFs possess large surface areas extending up to 6000 m2/g and are geared towards applications in gas storage, separations, and catalysis. In these applications, the chemical environment of the MOF interior is important as it can allow for selective interactions with guests as necessary. In the functionalization of MOFs, postsynthetic exchange (PSE), a suite of methods for introducing chemical functionality to a preformed MOF, has arisen as a key method for incorporation of new functional groups into MOFs that allow for further tailoring of these materials towards applications. This dissertation explores the use of functional environments in MOFs towards applications in separation and probes the mechanism of PSE in MOFs and the effects this has on the chemical environment. Chapter 2 describes the utility of MOFs with coordinatively unsaturated
metal centers for purification of the industrially important gas chloromethane; this was achieved through selective interactions with the impurity dimethyl ether thus offering an alternative to the current practice of reactive separation. The MOFs, HKUST-1, MIL-100(Fe), and Co/DOBDC showed not only high capacities for dimethyl ether adsorption, but Co/DOBDC was shown to be easily regenerable with mild heating under a flow of inert gas. Chapter 3 describes mechanistic studies of how PSE effects the chemical environment inside the MOF. The microstructure of MOFs after PSE was examined using Raman microscopy which revealed exchanged ligand was concentrated at the edges of the crystal and decreased in concentration towards the center of the crystal resulting in a gradient core-shell behavior. Diffusion studies of carboxylate based ligands into MOF-5 showed that lack of uniform exchange is the result of slow diffusion kinetics. This core-shell behavior was also observed in UiO-66 and UMCM-8 showing the general applicability of PSE in generating core-shell materials. Finally, in Chapter 4 PSE methods were applied in a different class of MOFs, zeolitic imidazolate
frameworks, to incorporate a primary amine in order to increase the CO2 uptake of the material. By using the readily available biomolecule histamine, incorporation into ZIF-8 saw a marked increase in CO2 capacity compared to the unmodified material.
Advisors/Committee Members: Matzger, Adam J (committee member), Solomon, Michael J (committee member), Bartlett, Bart (committee member), Koutmos, Markos (committee member).
Subjects/Keywords: Metal-organic Frameworks; Chemistry; Science
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Boissonnault, J. (2018). Functionality and Functionalization of Metal – Organic Frameworks. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/146095
Chicago Manual of Style (16th Edition):
Boissonnault, Jake. “Functionality and Functionalization of Metal – Organic Frameworks.” 2018. Doctoral Dissertation, University of Michigan. Accessed February 27, 2021.
http://hdl.handle.net/2027.42/146095.
MLA Handbook (7th Edition):
Boissonnault, Jake. “Functionality and Functionalization of Metal – Organic Frameworks.” 2018. Web. 27 Feb 2021.
Vancouver:
Boissonnault J. Functionality and Functionalization of Metal – Organic Frameworks. [Internet] [Doctoral dissertation]. University of Michigan; 2018. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/2027.42/146095.
Council of Science Editors:
Boissonnault J. Functionality and Functionalization of Metal – Organic Frameworks. [Doctoral Dissertation]. University of Michigan; 2018. Available from: http://hdl.handle.net/2027.42/146095

Texas A&M University
5.
Yuan, Shuai.
Developing a Synthetic Toolkit for Multi-Component Metal–Organic Frameworks.
Degree: PhD, Chemistry, 2018, Texas A&M University
URL: http://hdl.handle.net/1969.1/173905
► Metal–organic frameworks (MOFs) are an emerging class of porous materials constructed from metal-containing nodes and organic linkers. Due to their structural and functional tunability as…
(more)
▼ Metal–
organic frameworks (MOFs) are an emerging class of porous materials constructed from
metal-containing nodes and
organic linkers. Due to their structural and functional tunability as well as their ever-expanding application scope, MOFs have become one of the most fascinating class of materials for both scientists and engineers. MOFs provide ideal platforms to arrange various functional groups at atomic precision within the periodic lattice, leading to emergent synergistic effects in catalysis and gas adsorption. This requires the construction of MOFs from multiple
metal nodes and/or
organic linkers. However, the structural and compositional compilation of multi-component MOFs have posed a challenge for their synthesis. The complexity of MOFs is ultimately limited by the conventional “one-pot” synthetic method, which lacks control over the assembly of each framework component. By judicious kinetic control, we have developed stepwise synthetic strategies to build multi-component MOFs by “layer-on” molecular elaborations to preformed
frameworks. A series of synthetic strategies have been developed which together form a synthetic toolkit through which a target multi-component MOF can be retro-synthetically designed and synthesized.
The first section briefly summarized the development of MOFs to provide an overview on their structural design, synthesis and potential applications.
In the second section, we focused on the synthesis of heterometallic MOFs using preformed heterometallic clusters to avoid undesired by products formed by other
metal clusters.
In the third section, the mixed-linker MOFs with crystallographically ordered structures were constructed using sequential linker installation.
In the fourth section, we enriched the MOF synthetic toolkit by introducing linker labilization, in which selective linkers were exchanged, cleaved, and removed to create controlled defects in MOFs. The defective MOFs act as versatile platforms to create hierarchical structures and incorporate other coordinative assemblies.
In the fifth section, we realized the “retrosynthesis” multi-component MOFs by sequentially applying the above mentioned synthetic methods under kinetic considerations.
In summary, a series of synthetic methods were developed to construct multi-component MOFs with unprecedented complexity. These methods allow the rational design and synthesis of MOFs for specific applications including gas storage and separation, chemical sensing, energy harvesting and storage, catalysis, and biomedicine.
Advisors/Committee Members: Zhou, Hong-Cai (advisor), Darensbourg, Marcetta Y. (committee member), Gabbaï, François P. (committee member), Qian, Xiaofeng (committee member).
Subjects/Keywords: Metal–organic frameworks; Multi-component
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Yuan, S. (2018). Developing a Synthetic Toolkit for Multi-Component Metal–Organic Frameworks. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/173905
Chicago Manual of Style (16th Edition):
Yuan, Shuai. “Developing a Synthetic Toolkit for Multi-Component Metal–Organic Frameworks.” 2018. Doctoral Dissertation, Texas A&M University. Accessed February 27, 2021.
http://hdl.handle.net/1969.1/173905.
MLA Handbook (7th Edition):
Yuan, Shuai. “Developing a Synthetic Toolkit for Multi-Component Metal–Organic Frameworks.” 2018. Web. 27 Feb 2021.
Vancouver:
Yuan S. Developing a Synthetic Toolkit for Multi-Component Metal–Organic Frameworks. [Internet] [Doctoral dissertation]. Texas A&M University; 2018. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1969.1/173905.
Council of Science Editors:
Yuan S. Developing a Synthetic Toolkit for Multi-Component Metal–Organic Frameworks. [Doctoral Dissertation]. Texas A&M University; 2018. Available from: http://hdl.handle.net/1969.1/173905

University of St. Andrews
6.
McHugh, Lauren Nicole.
Toxic gas adsorption and water stability in metal-organic frameworks
.
Degree: 2019, University of St. Andrews
URL: http://hdl.handle.net/10023/18848
► This thesis largely focuses on the development of water stable metal-organic frameworks (MOFs) for the removal of toxic industrial chemicals (TICs) from airstreams. The aim…
(more)
▼ This thesis largely focuses on the development of water stable
metal-
organic frameworks (MOFs) for the removal of toxic industrial chemicals (TICs) from airstreams. The aim of the research is to investigate the water stability and adsorptive properties of a series of copper MOFs for potential use inside a filter in future air purification systems.
Chapter 4 introduces a member of the STAM series of MOFs: STAM-17-OEt, which has formed the main focus of the project. STAM-17-OEt displays exceptional hydrolytic stability and ammonia adsorption properties that are in part explained by the new crumple zone mechanism shown by the material.
The other members of the STAM series of MOFs are presented in chapter 5, where the long-term water stability first seen in STAM-17-OEt is shown to be present for other members of the series. Ammonia adsorption testing provides promising results, with a clear linear adsorption trend visible across the series, and though the materials remove hydrogen cyanide from an airstream, testing does not show a clear trend.
Chapter 6 describes the synthesis of MOF-activated carbon composite materials, where selected STAM MOFs are grown inside BPL activated carbon at a series of loadings. The composites allow a typically powdered MOF sample to be manufactured into a form that may potentially be used inside a filter and by altering the loading of MOF within the composites, the materials may be tailored to remove a broader range of contaminants than the individual components alone.
Chapter 7 discusses the synthesis and characterisation of two new copper
frameworks, where STAM-NMe2 is a member of the STAM series with a nitrogen-containing side chain and copper-1,3-bis(4-carboxyphenyl)-5-ethoxybenzene forms as a ‘layered coordination framework’ and is not related to the STAM series.
Advisors/Committee Members: Morris, Russell Edward (advisor).
Subjects/Keywords: Metal-organic frameworks;
Porous materials
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
McHugh, L. N. (2019). Toxic gas adsorption and water stability in metal-organic frameworks
. (Thesis). University of St. Andrews. Retrieved from http://hdl.handle.net/10023/18848
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):
McHugh, Lauren Nicole. “Toxic gas adsorption and water stability in metal-organic frameworks
.” 2019. Thesis, University of St. Andrews. Accessed February 27, 2021.
http://hdl.handle.net/10023/18848.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
McHugh, Lauren Nicole. “Toxic gas adsorption and water stability in metal-organic frameworks
.” 2019. Web. 27 Feb 2021.
Vancouver:
McHugh LN. Toxic gas adsorption and water stability in metal-organic frameworks
. [Internet] [Thesis]. University of St. Andrews; 2019. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/10023/18848.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
McHugh LN. Toxic gas adsorption and water stability in metal-organic frameworks
. [Thesis]. University of St. Andrews; 2019. Available from: http://hdl.handle.net/10023/18848
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Georgia Tech
7.
Cmarik, Gregory E.
The effects of functionalization on adsorption properties of microporous materials.
Degree: PhD, Chemical and Biomolecular Engineering, 2014, Georgia Tech
URL: http://hdl.handle.net/1853/54250
► The theme of this work is the observation and understanding of the effects of pore functionalization on adsorption properties of stable Metal-Organic Frameworks (MOFs). Over…
(more)
▼ The theme of this work is the observation and understanding of the effects of pore functionalization on adsorption properties of stable
Metal-
Organic Frameworks (MOFs). Over the first two sections of this work, sets of materials with representative pore sizes and functional groups are studied for adsorption properties. Observed trends are used to identify the best pore properties achievable via functionalization for adsorption systems. The third section of this work provides perspective on MOF materials and proposes target pore features for an efficient adsorbent for carbon dioxide capture from flue gas.
First, the highly stable UiO-66 series of materials was selected for a pure-component adsorption study. The selectivity and capacity for CO2 can be best enhanced with the smallest, most polar functional group, such as an amino group, but significantly enhance water adsorption. Large, non-polar groups do not yield a completely hydrophobic material, but may be useful for humid gas separations as pore filling with water is inhibited.
Next, a breakthrough study was conducted using CO2:CH4 and CO2:N2 mixtures on a set of stable MOFs. UiO-66-NH2 and UiO-66-DM, where DM=dimethyl, outperform predictions based on published isotherms and have dynamic CO2:CH4 selectivity comparable to zeolite NaY. UiO-66-DM may be a good candidate for further study due to the combination of partial hydrophobicity and good selectivity.
Finally, by combining a review of literature with observations made in this work, a perspective on MOFs as efficient humid gas separation materials is provided. The presence of water vapor prevents use of current high performance adsorbents, but several MOF pore features show promise for these separations. The designable nature of MOFs allows for targeted design of size-matched pores and single-molecule traps which can selectively or cooperatively adsorb CO2 in the presence of water. Also, many MOF materials would be well suited for advanced pressure swing adsorption cycles and engineered sorbents, which enables greater material utilization and system efficiency.
Advisors/Committee Members: Walton, Krista S. (advisor), Kawajiri, Yoshiaki (committee member), Meredith, Carson (committee member), Soper, Jake (committee member), Jones, Christopher W. (committee member).
Subjects/Keywords: Adsorption; Metal-organic frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Cmarik, G. E. (2014). The effects of functionalization on adsorption properties of microporous materials. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/54250
Chicago Manual of Style (16th Edition):
Cmarik, Gregory E. “The effects of functionalization on adsorption properties of microporous materials.” 2014. Doctoral Dissertation, Georgia Tech. Accessed February 27, 2021.
http://hdl.handle.net/1853/54250.
MLA Handbook (7th Edition):
Cmarik, Gregory E. “The effects of functionalization on adsorption properties of microporous materials.” 2014. Web. 27 Feb 2021.
Vancouver:
Cmarik GE. The effects of functionalization on adsorption properties of microporous materials. [Internet] [Doctoral dissertation]. Georgia Tech; 2014. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1853/54250.
Council of Science Editors:
Cmarik GE. The effects of functionalization on adsorption properties of microporous materials. [Doctoral Dissertation]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/54250

Georgia Tech
8.
Deneff, Jacob.
Polymer-Supported Metal-Organic Frameworks for Adsorption and Catalysis.
Degree: PhD, Chemical and Biomolecular Engineering, 2019, Georgia Tech
URL: http://hdl.handle.net/1853/63532
► Two methods for the incorporation of MOFs into polymeric support structures were proposed. The first was to use emulsion templated polymeric foams to create three…
(more)
▼ Two methods for the incorporation of MOFs into polymeric support structures were proposed. The first was to use emulsion templated polymeric foams to create three dimensional structures with high permeability. Data were collected for two different polymers and a variety of material compositions and MOF loadings. The results indicated that a portion of the MOF particles became inaccessible to some adsorbates when embedded in hydrophilic material due to stronger interactions between the polymer and MOF resulting in complete encasement of the MOF particles. MOF accessibility could not be recovered via modification of the synthesis or emulsion structure. Hydrophobic polymeric materials allowed for much higher MOF accessibility both due to increased void volume in the polymer structure and poor interactions between the polymer and the MOF. The second method was to embed MOF particles in polymer fibers produced via solution blow spinning. This method allowed direct application of fibers to a surface without specialized equipment or polymers. The data indicated that fiber size and texture could be controlled via manipulation of process variables, although the MOF became inaccessible due to being embedded under a glassy polymer layer on the outside of the fibers. MOF accessibility was recovered via the incorporation of a non-solvent to create a ternary system and allow for phase separation and breath figure formation, disrupting the glassy layer. Both methods were found to be effective for providing mechanical stability and structure while preserving MOF accessibility.
Advisors/Committee Members: Walton, Krista (advisor), Lively, Ryan (committee member), Meredith, Carson (committee member), Behrens, Sven (committee member), Losego, Mark (committee member).
Subjects/Keywords: Adsorption; Metal-Organic Frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Deneff, J. (2019). Polymer-Supported Metal-Organic Frameworks for Adsorption and Catalysis. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/63532
Chicago Manual of Style (16th Edition):
Deneff, Jacob. “Polymer-Supported Metal-Organic Frameworks for Adsorption and Catalysis.” 2019. Doctoral Dissertation, Georgia Tech. Accessed February 27, 2021.
http://hdl.handle.net/1853/63532.
MLA Handbook (7th Edition):
Deneff, Jacob. “Polymer-Supported Metal-Organic Frameworks for Adsorption and Catalysis.” 2019. Web. 27 Feb 2021.
Vancouver:
Deneff J. Polymer-Supported Metal-Organic Frameworks for Adsorption and Catalysis. [Internet] [Doctoral dissertation]. Georgia Tech; 2019. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1853/63532.
Council of Science Editors:
Deneff J. Polymer-Supported Metal-Organic Frameworks for Adsorption and Catalysis. [Doctoral Dissertation]. Georgia Tech; 2019. Available from: http://hdl.handle.net/1853/63532

Texas A&M University
9.
Sun, Yujia.
Construction of Highly Stable Metal-Organic Frameworks with Multiple Functionalities.
Degree: PhD, Chemistry, 2018, Texas A&M University
URL: http://hdl.handle.net/1969.1/174404
► Metal-organic frameworks (MOFs) are a class of newly emerged crystalline porous materials consisting of metal ions or clusters and organic linkers. Through judicious choice of…
(more)
▼ Metal-
organic frameworks (MOFs) are a class of newly emerged crystalline porous materials consisting of
metal ions or clusters and
organic linkers. Through judicious choice of inorganic joints and
organic struts, the structure, porosity and functionality of MOFs can be tuned. However, the lack of high stability of most of the reported MOFs as well as limited methods to introduce multiple functionalities into the framework hinders the exploration of MOFs towards a wide variety of potential applications. The main goal of this research is to develop synthetic strategies to construct MOFs with high stability and multiple functionalities.
Firstly, a brief introduction of MOFs was provided, focusing on strategies to increase their stability and introduce functionalities.
Secondly, a facile one-pot synthetic strategy was developed to introduce porphyrin into highly stable UiO-66 homogeneously. The crystal structure, morphology, and ultrahigh chemical stability of UiO-66 were well maintained in the functionalized MOFs. In addition, the amount of integrated porphyrin can be gradually tuned.
Thirdly, a general in situ secondary ligand incorporation (ISLI) strategy was investigated to synthesize multivariate UiO series of MOFs. Both experimental and computational studies were carried out to understand the chemistry behind this strategy.
Fourthly, ISLI strategy was further applied in highly stable Zr-MOFs constructed from multitopic ligands to incorporate multiple functionalities.
Fifthly, a porphyrin and pyrene-based mixed-ligand MOF with high stability and novel topology was synthesized. This MOF provides an ideal platform for further functionalization and exploration of new structures.
In summary, different strategies were investigated to construct highly stable MOFs with the incorporation of multiple functionalities. These studies provide useful tools to explore stable MOFs with desired multifunctionality for potential applications.
Advisors/Committee Members: Zhou, Hongcai (advisor), Clearfield, Abraham (advisor), Lindahl, Paul (committee member), Grunlan, Jaime (committee member).
Subjects/Keywords: Metal-Organic Frameworks; Porphyrin; Multifunctionality
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Sun, Y. (2018). Construction of Highly Stable Metal-Organic Frameworks with Multiple Functionalities. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/174404
Chicago Manual of Style (16th Edition):
Sun, Yujia. “Construction of Highly Stable Metal-Organic Frameworks with Multiple Functionalities.” 2018. Doctoral Dissertation, Texas A&M University. Accessed February 27, 2021.
http://hdl.handle.net/1969.1/174404.
MLA Handbook (7th Edition):
Sun, Yujia. “Construction of Highly Stable Metal-Organic Frameworks with Multiple Functionalities.” 2018. Web. 27 Feb 2021.
Vancouver:
Sun Y. Construction of Highly Stable Metal-Organic Frameworks with Multiple Functionalities. [Internet] [Doctoral dissertation]. Texas A&M University; 2018. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1969.1/174404.
Council of Science Editors:
Sun Y. Construction of Highly Stable Metal-Organic Frameworks with Multiple Functionalities. [Doctoral Dissertation]. Texas A&M University; 2018. Available from: http://hdl.handle.net/1969.1/174404

Boston College
10.
Zhang, Furui.
Mechanism and Interface Study of One-to-one Metal NP/Metal
Organic Framework Core-shell Structure.
Degree: MS, Chemistry, 2017, Boston College
URL: http://dlib.bc.edu/islandora/object/bc-ir:107565
► The core-shell hybrid structure is the simplest motif of two-component systems which consists of an inner core coated by an outer shell. Core-shell composite materials…
(more)
▼ The core-shell hybrid structure is the simplest motif
of two-component systems which consists of an inner core coated by
an outer shell. Core-shell composite materials are attractive for
their biomedical, electronic and catalytic applications in which
interface between core and shell is critical for various
functionalities. However, it is still challenging to study the
exact role that interface plays during the formation of the
core-shell structures and in the properties of the resulted
materials. By studying the formation mechanism of a well interface
controlled one-to-one
metal nanoparticle (NP)@zeolite imidazolate
framework-8 (ZIF-8) core-shell material, we found that the
dissociation of capping agents on the NP surface results in direct
contact between NP and ZIF-8, which is essential for the formation
of core-shell structure. And the amount of capping agents on the NP
surface has a significant effect to the crystallinity and stability
of ZIF-8 coating shell. Guided by our understanding to the
interface, one-to-one
[email protected] core-shell structure has also been
achieved for the first time. We believe that our research will help
the development of rational design and synthesis of core-shell
structures, particularly in those requiring good interface
controls.
Advisors/Committee Members: Chia-Kuang (Frank) Tsung (Thesis advisor).
Subjects/Keywords: Heterogeneous catalysis; Metal nanoparticles; Metal organic frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Zhang, F. (2017). Mechanism and Interface Study of One-to-one Metal NP/Metal
Organic Framework Core-shell Structure. (Masters Thesis). Boston College. Retrieved from http://dlib.bc.edu/islandora/object/bc-ir:107565
Chicago Manual of Style (16th Edition):
Zhang, Furui. “Mechanism and Interface Study of One-to-one Metal NP/Metal
Organic Framework Core-shell Structure.” 2017. Masters Thesis, Boston College. Accessed February 27, 2021.
http://dlib.bc.edu/islandora/object/bc-ir:107565.
MLA Handbook (7th Edition):
Zhang, Furui. “Mechanism and Interface Study of One-to-one Metal NP/Metal
Organic Framework Core-shell Structure.” 2017. Web. 27 Feb 2021.
Vancouver:
Zhang F. Mechanism and Interface Study of One-to-one Metal NP/Metal
Organic Framework Core-shell Structure. [Internet] [Masters thesis]. Boston College; 2017. [cited 2021 Feb 27].
Available from: http://dlib.bc.edu/islandora/object/bc-ir:107565.
Council of Science Editors:
Zhang F. Mechanism and Interface Study of One-to-one Metal NP/Metal
Organic Framework Core-shell Structure. [Masters Thesis]. Boston College; 2017. Available from: http://dlib.bc.edu/islandora/object/bc-ir:107565

University of Utah
11.
Bodell, Jadee.
Metal organic frameworks for enzyme immobilization in biofuel cells.
Degree: MS, Materials Science & Engineering, 2015, University of Utah
URL: http://content.lib.utah.edu/cdm/singleitem/collection/etd3/id/3980/rec/1570
► Interest in biofuel cells has been rapidly expanding as an ever-growing segment of the population gains access to electronic devices. The largest areas of growth…
(more)
▼ Interest in biofuel cells has been rapidly expanding as an ever-growing segment of the population gains access to electronic devices. The largest areas of growth for new populations using electronic devices are often in communities without electrical infrastructure. This lack of infrastructure in remote environments is one of the key driving factors behind the development of biofuel cells. Biofuel cells employ biological catalysts such as enzymes to catalyze oxidation and reduction reactions of select fuels to generate power. There are several benefits to using enzymes to catalyze reactions as compared to traditional fuel cells which use metal catalysts. First, enzymes are able to catalyze reactions at or near room temperature, whereas traditional metal catalysts are only efficient at very high temperatures. Second, biofuel cells can operate under mild pH conditions which is important for the eventual design of safe, commercially viable devices. Also, biofuel cells allow for implantable and flexible technologies. Finally, enzymes exhibit high selectivity and can be combined to fully oxidize or reduce the fuel which can generate several electrons from a single molecule of fuel, increasing the overall device efficiency.
Subjects/Keywords: biofuel cells; metal organic frameworks; MOF
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Bodell, J. (2015). Metal organic frameworks for enzyme immobilization in biofuel cells. (Masters Thesis). University of Utah. Retrieved from http://content.lib.utah.edu/cdm/singleitem/collection/etd3/id/3980/rec/1570
Chicago Manual of Style (16th Edition):
Bodell, Jadee. “Metal organic frameworks for enzyme immobilization in biofuel cells.” 2015. Masters Thesis, University of Utah. Accessed February 27, 2021.
http://content.lib.utah.edu/cdm/singleitem/collection/etd3/id/3980/rec/1570.
MLA Handbook (7th Edition):
Bodell, Jadee. “Metal organic frameworks for enzyme immobilization in biofuel cells.” 2015. Web. 27 Feb 2021.
Vancouver:
Bodell J. Metal organic frameworks for enzyme immobilization in biofuel cells. [Internet] [Masters thesis]. University of Utah; 2015. [cited 2021 Feb 27].
Available from: http://content.lib.utah.edu/cdm/singleitem/collection/etd3/id/3980/rec/1570.
Council of Science Editors:
Bodell J. Metal organic frameworks for enzyme immobilization in biofuel cells. [Masters Thesis]. University of Utah; 2015. Available from: http://content.lib.utah.edu/cdm/singleitem/collection/etd3/id/3980/rec/1570

UCLA
12.
Volosskiy, Boris.
Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons.
Degree: Chemistry, 2017, UCLA
URL: http://www.escholarship.org/uc/item/6qn3z89c
► Metal Organic Frameworks (MOFs) are highly porous, crystalline frameworks composed of an organic linker and a metal oxide cluster. Covalent Triazine Frameworks (CTFs) are a…
(more)
▼ Metal Organic Frameworks (MOFs) are highly porous, crystalline frameworks composed of an organic linker and a metal oxide cluster. Covalent Triazine Frameworks (CTFs) are a subclass of MOFs and similarly are highly porous crystalline frameworks, but unlike MOFs, are composed of purely organic building units. Since the initial reports of a successful synthesis and characterization of MOF-5 in 1995, the interest in these frameworks has exploded. The ability to design the MOF properties and functionality by simply selecting the starting precursors make MOFs optimal materials for a multitude of fields. However, even with all of the research being conducted, there are many MOF applications yet to be discovered. In the first part of this thesis we explore the application of MOFs as templates for the synthesis of metallic nanostructures based on the size and the shape of the MOF pores. The limitless number of MOF structures with different pore shapes and sizes allow for the synthesis of nanostructures with any desired shape or size. It is shown that by using MOF-545 with one dimensional pores, well aligned, ultra-thin gold and platinum nanowires are grown. The nanowires inside the MOF pores are confirmed by imaging the focus-ion beam cross-section of the metal loaded MOF-545 using a transmission electron microscope. In the second part of this thesis, the use of MOFs as a precursor to fabricate nitrogen and metal co-doped carbons is discussed. MOF-545 is an excellent precursor for one-pot synthesis of metal and nitrogen co-doped carbon wires. Two different annealing methods are studied, either under pure argon or argon mixed with air impurities, and the resulting carbon wires are tested as an electro-catalyst for oxygen reduction reaction (ORR). Surprisingly, the air treated carbon wires show much higher ORR activity, comparable to that of platinum in basic electrolyte. Finally, the last part of this thesis will discuss controlling the surface area and porosity of carbon frameworks fabricated from CTFs. By using three different precursors, 12 carbon networks are synthesized and analyzed for porosity, surface area and capacitance. By varying the precursor composition and ratio, as well as the temperature, we are able to control the average pore size distribution between 1-17 nm, while the samples treated at 900�C show the best capacitance of 130 F/g.
Subjects/Keywords: Chemistry; Electrochemistry; Metal-Organic Frameworks; MOFs; Nano
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Volosskiy, B. (2017). Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/6qn3z89c
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):
Volosskiy, Boris. “Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons.” 2017. Thesis, UCLA. Accessed February 27, 2021.
http://www.escholarship.org/uc/item/6qn3z89c.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Volosskiy, Boris. “Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons.” 2017. Web. 27 Feb 2021.
Vancouver:
Volosskiy B. Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons. [Internet] [Thesis]. UCLA; 2017. [cited 2021 Feb 27].
Available from: http://www.escholarship.org/uc/item/6qn3z89c.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Volosskiy B. Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons. [Thesis]. UCLA; 2017. Available from: http://www.escholarship.org/uc/item/6qn3z89c
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Georgia Tech
13.
Park, Jongwoo.
Atomistic characterization of metal-organic frameworks for sub-ambient pressure swing adsorption of post-combustion CO2 capture and separation.
Degree: PhD, Chemical and Biomolecular Engineering, 2019, Georgia Tech
URL: http://hdl.handle.net/1853/62308
► Developing cost-effective and less energy-intensive carbon capture processes for dilute CO2 sources is of high interest. Adsorption-based CO2 capture such as pressure swing adsorption (PSA)…
(more)
▼ Developing cost-effective and less energy-intensive carbon capture processes for dilute CO2 sources is of high interest. Adsorption-based CO2 capture such as pressure swing adsorption (PSA) is one promising approach to this challenge. PSA and other cyclic adsorption processes are materials-enabled separations that use porous adsorbents, including
metal-
organic frameworks (MOFs). This thesis examines post-combustion carbon capture in sub-ambient PSA, a potential route to an effective adsorption process, using MOF materials via molecular modeling.
We first estimated the reproducibility of CO2 adsorption isotherm measurements in MOFs via literature meta-analysis. This chapter provides a comprehensive summary of the state of knowledge regarding CO2 adsorption in MOFs and its implications for molecular modeling of adsorption in MOFs. We then examined the upper bounds on CO2 swing capacity in sub-ambient PSA by Grand Canonical Monte Carlo (GCMC) simulation of an extensive collection of MOFs. A wide variety of MOFs was found to have swing capacity exceeding 10 mol/kg at sub-ambient temperatures provided that MOFs are appropriately selected based on their physical properties. We also assessed the capability of simple proxies for adsorbent performance and approximate models of cyclic adsorption to predict the outcomes of detailed process models of adsorption-based CO2 capture processes. To this end, we discuss the correlations between predictions from the simpler models and detailed process models. As a separate contribution, molecular modeling of chemical warfare agents (CWAs) adsorption in MOFs was analyzed. Molecular models of adsorption of CO2, CWAs or other molecules typically employ a rigid framework approximation for computational convenience. All real
frameworks including MOFs, however, have intrinsic flexibility due to thermal vibrations. We examine the implications of this simple observation for quantitative predictions of the properties of adsorbed CWAs.
Advisors/Committee Members: Sholl, David S. (advisor), Lively, Ryan P. (committee member), Walton, Krista S. (committee member), Realff, Matthew J. (committee member), Gumbart, James C. (committee member).
Subjects/Keywords: CO2 adsorption; Metal-organic frameworks; Molecular modeling
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Park, J. (2019). Atomistic characterization of metal-organic frameworks for sub-ambient pressure swing adsorption of post-combustion CO2 capture and separation. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62308
Chicago Manual of Style (16th Edition):
Park, Jongwoo. “Atomistic characterization of metal-organic frameworks for sub-ambient pressure swing adsorption of post-combustion CO2 capture and separation.” 2019. Doctoral Dissertation, Georgia Tech. Accessed February 27, 2021.
http://hdl.handle.net/1853/62308.
MLA Handbook (7th Edition):
Park, Jongwoo. “Atomistic characterization of metal-organic frameworks for sub-ambient pressure swing adsorption of post-combustion CO2 capture and separation.” 2019. Web. 27 Feb 2021.
Vancouver:
Park J. Atomistic characterization of metal-organic frameworks for sub-ambient pressure swing adsorption of post-combustion CO2 capture and separation. [Internet] [Doctoral dissertation]. Georgia Tech; 2019. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1853/62308.
Council of Science Editors:
Park J. Atomistic characterization of metal-organic frameworks for sub-ambient pressure swing adsorption of post-combustion CO2 capture and separation. [Doctoral Dissertation]. Georgia Tech; 2019. Available from: http://hdl.handle.net/1853/62308

Texas A&M University
14.
Chen, Ying-Pin.
X-Ray Diffraction Used in Observation and Characterization on Guest Molecules in Metal-Organic Frameworks.
Degree: PhD, Materials Science and Engineering, 2017, Texas A&M University
URL: http://hdl.handle.net/1969.1/161263
► Knowledge about the interactions between gas molecules and adsorption sites is essential to customize Metal Organic Frameworks (MOFs) as adsorbents. The dynamic interactions occurring during…
(more)
▼ Knowledge about the interactions between gas molecules and adsorption sites is essential to customize
Metal Organic Frameworks (MOFs) as adsorbents. The dynamic interactions occurring during adsorption/desorption working cycles with several states are especially complicated. Even so, the gas dynamics based upon experimental observations and the distribution of guest molecules under various conditions in MOFs have not been extensively studied yet. In this work, a direct time-resolved diffraction structure envelope (TRDSE) method using sequential measurements by in situ synchrotron powder X-ray diffraction has been developed to monitor several gas dynamics processes taking place in MOFs: infusion, desorption, and gas redistribution on temperature change. The electron density maps indicate that gas molecules prefer to redistribute over heterogeneous types of sites rather than to exclusively occupy the primary binding sites. We found that the gas molecules are entropically driven from open
metal sites to larger neighboring spaces during the gas infusion period, matching the localized-to-mobile mechanism. In addition, the partitioning ratio of molecules adsorbed at each site varies with different temperatures, as opposed to an invariant distribution mode. Equally important, the gas adsorption in MOFs is intensely influenced by the gas-gas interactions, which might induce more molecules to be accommodated in an orderly compact arrangement. This sequential TRDSE method is generally applicable to most crystalline adsorbents, yielding information on distribution ratios of adsorbates at each type of site.
Advisors/Committee Members: Zhou, Hong-Cai (advisor), Clearfield, Abraham (committee member), Balbuena, Perla (committee member), Jeong, Hae-Kwon (committee member).
Subjects/Keywords: Metal-Organic Frameworks; X-ray; Characterization
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Chen, Y. (2017). X-Ray Diffraction Used in Observation and Characterization on Guest Molecules in Metal-Organic Frameworks. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/161263
Chicago Manual of Style (16th Edition):
Chen, Ying-Pin. “X-Ray Diffraction Used in Observation and Characterization on Guest Molecules in Metal-Organic Frameworks.” 2017. Doctoral Dissertation, Texas A&M University. Accessed February 27, 2021.
http://hdl.handle.net/1969.1/161263.
MLA Handbook (7th Edition):
Chen, Ying-Pin. “X-Ray Diffraction Used in Observation and Characterization on Guest Molecules in Metal-Organic Frameworks.” 2017. Web. 27 Feb 2021.
Vancouver:
Chen Y. X-Ray Diffraction Used in Observation and Characterization on Guest Molecules in Metal-Organic Frameworks. [Internet] [Doctoral dissertation]. Texas A&M University; 2017. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1969.1/161263.
Council of Science Editors:
Chen Y. X-Ray Diffraction Used in Observation and Characterization on Guest Molecules in Metal-Organic Frameworks. [Doctoral Dissertation]. Texas A&M University; 2017. Available from: http://hdl.handle.net/1969.1/161263

Texas A&M University
15.
Fordham, Stephen A.
High-Throughput Synthesis of Metal-Organic Frameworks Through Mixed Ligand Co-assembly and Topological Design.
Degree: PhD, Chemistry, 2016, Texas A&M University
URL: http://hdl.handle.net/1969.1/159023
► The focus of this research is to investigate the synthesis of novel mixed linker metal-organic frameworks (MOFs) composed of pyrozolate and imidazolate based linkers through…
(more)
▼ The focus of this research is to investigate the synthesis of novel mixed linker
metal-
organic frameworks (MOFs) composed of pyrozolate and imidazolate based linkers through a mixed-ligand co-assembly process. In MOF synthesis, judicious selection of
metal containing nodes combined with symmetric ligands can provide a modicum of predictability to the ultimate structure of the framework. Traditionally, carboxylate ligands have been heavily utilized for the construction of porous materials; however, nitrogen based ligands have not been as frequently used. Of the MOF family, zeolitic imidazolate
frameworks (ZIFs) have been the most widely studied material composed of nitrogen-based ligands; however, these
frameworks have primarily been constructed from only tetrahedral building units with zinc and cobalt
metal nodes, which severely limits the diversity of such
frameworks.
After an introduction of MOF materials and high throughput synthesis, we investigate the synthesis of new MOFs through mixed-linker co-assembly. An uncommon Pyrazole3Cu3OL3 building unit is observed in two new MOFs, PCN-351 and PCN-352. The first MOF, PCN-351 exhibits three distinct channels and small pores. PCN-352 is composed of molecular polyhedral cages and exhibits enhanced porosity and surface area. Additionally, high-throughput synthesis will allow for the systematic study of MOF formation under varying reaction conditions. Structural predictability is often limited, due to the many kinetic and thermodynamic factors that contribute to MOF formation including
metal selection, ligand selection (connectivity, bonding angles, solubility, etc.), solvent selection, modulating agents, and pH values. This project will use a Chemspeed SLT-Swing robotic synthetic platform to exploit combinatorial chemistry methods in MOF synthesis. Utilizing the robotic platform, solvothermal reactions can be screened to optimize MOF formation through selection of solvent, determination of optimal reactant concentrations (
metal to ligand ratios, modulation reagents, etc.), and determination of appropriate reaction temperature. This project builds upon the previously discover mixed-linker MOFs using ligand co-assembly. Ligand extension has often been used to study reticular chemistry for the formation of MOFs with enhanced porosity. Herein, we will explore the effect of linker length in the formation and symmetry of MOFs. A series of MOFs have been synthesized using the mixed linker co-assembly procedure and exhibit tuneable surface area and porosity.
Finally, we explore the use of porphyrin linkers in the synthesis of mesoporous MOFs (PCN-228, PCN-229 and PCN-230). Porphyrin linkers are highly conjugated systems that have been shown to eliminate interpenetration of MOFs. In this work a series of elongated porphyrin linkers with Zr6
metal nodes have been studied and show enhanced porosity and stability. We build upon the synthesis of porphyrin MOFs, using high-throughput synthesis and the mixed ligand co-assembly method, to construct a copper based porphyrin MOF…
Advisors/Committee Members: Zhou, Hong-Cai J (advisor), Dunbar, Kim R (committee member), Banerjee, Sarbajit (committee member), Sue, Hung-Jue (committee member).
Subjects/Keywords: metal-organic frameworks; porous materials; inorganic chemistry
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Fordham, S. A. (2016). High-Throughput Synthesis of Metal-Organic Frameworks Through Mixed Ligand Co-assembly and Topological Design. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/159023
Chicago Manual of Style (16th Edition):
Fordham, Stephen A. “High-Throughput Synthesis of Metal-Organic Frameworks Through Mixed Ligand Co-assembly and Topological Design.” 2016. Doctoral Dissertation, Texas A&M University. Accessed February 27, 2021.
http://hdl.handle.net/1969.1/159023.
MLA Handbook (7th Edition):
Fordham, Stephen A. “High-Throughput Synthesis of Metal-Organic Frameworks Through Mixed Ligand Co-assembly and Topological Design.” 2016. Web. 27 Feb 2021.
Vancouver:
Fordham SA. High-Throughput Synthesis of Metal-Organic Frameworks Through Mixed Ligand Co-assembly and Topological Design. [Internet] [Doctoral dissertation]. Texas A&M University; 2016. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1969.1/159023.
Council of Science Editors:
Fordham SA. High-Throughput Synthesis of Metal-Organic Frameworks Through Mixed Ligand Co-assembly and Topological Design. [Doctoral Dissertation]. Texas A&M University; 2016. Available from: http://hdl.handle.net/1969.1/159023

Texas A&M University
16.
Park, Jihye.
Functionalization of Stable Metal-Organic Frameworks and Their Applications.
Degree: PhD, Chemistry, 2016, Texas A&M University
URL: http://hdl.handle.net/1969.1/157986
► Metal–organic frameworks (MOFs) are newly emerging inorganic–organic hybrid porous materials with diverse crystalline structures, high surface areas, and tunable pores. This dissertation primarily focuses on…
(more)
▼ Metal–
organic frameworks (MOFs) are newly emerging inorganic–
organic hybrid porous materials with diverse crystalline structures, high surface areas, and tunable pores. This dissertation primarily focuses on design and synthesis of MOFs as well as the development of synthetic methodologies to target stable MOFs with desired functionalities.
In the second section, a linker exchange strategy was developed as a route to functionalize a mesoporous MOF, PCN-333, through thermodynamic control. This strategy allowed a facile incorporation of a variety of functional groups into the mesoporous MOF without compromising integrity of the parent MOF.
In the third section, a dual-exchange method was studied using a sequential linker exchange and
metal metathesis on PCN-333(Fe) to achieve a chemically robust mesoporous Cr-MOF with desired functional group. Dual exchange showed the potential of this method to be a general approach to highly stable Cr-MOFs with desired functional groups upon selection of appropriate MOF template.
In the fourth section, a new Zn-MOF, SO-PCN, was designed and synthesized as a host of two dye linkers. SO-PCN showed energy transfer between the 2D porphyrinic photosensitizer layer and the photochromic switch pillar in the framework. Using photochromic reaction of the linker in SO-PCN, a reversible control of singlet oxygen generation was demonstrated. The catalytic activity of SO-PCN was also studied for photooxidation of 1,5-dihydroxynaphthalene.
In the fifth section, a new synthetic strategy to incorporate multiple functional molecules within the MOF nanoparticles was demonstrated for control of 1^O2 generation for PDT. This strategy was developed to improve several inherent limitations from SOPCN in the previous section. First, a Zr-MOF nanoplatform showed much improved stability in aqueous media, compatible under physiological conditions. This strategy allows for tuning of the ratios between the photosensitizer and the switch molecule within the Zr-MOF nanoparticles, thus enabling maximization of the 1^O2 generation controllability. As a result, MOF nanoparticle formulation showed an enhanced PDT efficacy with superior 1^O2 control compared to that of homogeneous molecular analogues.
In the sixth section, size-controlled synthesis of Zr-based porphyrinic MOF nanoparticles was studied through a bottom-up approach. The study provided mechanistic insights about the size control of the porphyrinic Zr-MOF nanoparticles. Size-dependent cellular uptake and ensuing PDT efficacy were also investigated to optimize the size of the MOF nanoparticles for PDT. Additionally, folic acid modification on the Zr6 node in the MOF showed further enhanced PDT efficacy via active targeting, demonstrating multifunctional MOF nanoplatform.
In summary, methodologies to allow functionalization of highly stable MOFs have been designed and studied. Conceptual utilizations of MOF nanoparticles for biomedical applications have also been demonstrated with stable MOF nanoparticles, showing the advantages of the MOF…
Advisors/Committee Members: Zhou, Hongcai (advisor), Balbuena, Perla (committee member), Hilty, Christian (committee member), Wooley, Karen (committee member).
Subjects/Keywords: metal-organic frameworks; nanoparticles; photodynamic therapy
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Park, J. (2016). Functionalization of Stable Metal-Organic Frameworks and Their Applications. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/157986
Chicago Manual of Style (16th Edition):
Park, Jihye. “Functionalization of Stable Metal-Organic Frameworks and Their Applications.” 2016. Doctoral Dissertation, Texas A&M University. Accessed February 27, 2021.
http://hdl.handle.net/1969.1/157986.
MLA Handbook (7th Edition):
Park, Jihye. “Functionalization of Stable Metal-Organic Frameworks and Their Applications.” 2016. Web. 27 Feb 2021.
Vancouver:
Park J. Functionalization of Stable Metal-Organic Frameworks and Their Applications. [Internet] [Doctoral dissertation]. Texas A&M University; 2016. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1969.1/157986.
Council of Science Editors:
Park J. Functionalization of Stable Metal-Organic Frameworks and Their Applications. [Doctoral Dissertation]. Texas A&M University; 2016. Available from: http://hdl.handle.net/1969.1/157986

Penn State University
17.
Sircar, Sarmishtha.
Studies of Gas Adsorption in Flexible Metal-organic Frameworks.
Degree: 2014, Penn State University
URL: https://submit-etda.libraries.psu.edu/catalog/21037
► Flexible Metal-Organic frameworks that exhibit a gate-opening (GO) adsorption mechanism have potential for gas separations and gas storage. The GO phenomenon occurs when molecular gates…
(more)
▼ Flexible
Metal-
Organic frameworks that exhibit a gate-opening (GO) adsorption mechanism have potential for gas separations and gas storage. The GO phenomenon occurs when molecular gates in the structure expand/contract in response to the activation/de-activation of a system variable e.g. temperature, pressure or gas. Sharp discontinuities in the isotherm leading to S-shapes and large adsorption-desorption hysteresis are typical of this phenomenon. This study investigates the kinetics and thermodynamics of the GO behavior by combining adsorption measurements and analytical modeling of adsorption kinetics and capacity as a function of adsorbate, GO pressure, and temperature. Basic understanding of GO mechanism will help harness GO-MOF‘s as adsorbents for gas separations and storage.
Experiments were performed on two precharacterized MOFs with verified GO behavior. These are (1) Zn2(bpdc)2(bpee), which expands from a relative amorphous to crystalline structure and (2) Cu[(dhbc)2(4,4‘-bpy)]H2O, a mutually interdigitated 2-D structure (bpdc = biphenyldicarboxylate, bpee = 1,2‐bipyridylethene; DMF = N,N-dimethyl formamide, dhbc= 2,5-dihydroxybenzoic acid, bpy=bipyridine). Both sub- and super-critical adsorption data were collected using three adsorption units: a standard low-pressure volumetric adsorption unit, a commercial high-pressure gravimetric analyzer and a custom-built high-pressure differential volumetric unit. Collected laboratory data were combined with published adsorption rate and isotherm data for analysis to broaden the range of data collection. The accuracy of the high-pressure differential unit was improved by over 300-fold by changing analytical methods of processing data to establish a reliable null correction. A pronounced effect of the allowed experimental time was found at cryogenic temperatures on (1). Tightening the stability criteria used by the adsorption equipment to determine equilibration increased the experimental time from the order of minutes to >60 hours, and this in turn, led to a ~300 fold increase in capacity, convergence of capacities at similar reduced temperatures (critical temperature being the reducing parameter), discontinuities in the isotherms, lowering of gate-opening pressures, changes in the isotherm shapes as well as width of hysteresis loops. Although an experimental time effect was also seen for H2 adsorption at 77K, H2 showed no discontinuity in the adsorption isotherm, adsorption-desorption hysteresis was much less pronounced, and equilibration required significantly less time. The significant difference in rates of adsorption by different gases was attributed to an activated configurational diffusion regime in which the diffusing species moves through a corrugated surface potential when the diameter of the adsorbate approaches that of the pore. A concentration-dependent diffusion model coupled with insufficient equilibration time provides an alternate explanation to describe the stepwise adsorption behavior in GO-MOFs and the changes in capacities. A sigmoid shape of…
Advisors/Committee Members: Angela Lueking, Dissertation Advisor/Co-Advisor, Angela Lueking, Committee Chair/Co-Chair, Derek Elsworth, Committee Member, Jonathan P Mathews, Committee Member, Adri van Duin, Committee Member.
Subjects/Keywords: Adsorption; Gate-Opening; Metal-Organic Frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Sircar, S. (2014). Studies of Gas Adsorption in Flexible Metal-organic Frameworks. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/21037
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):
Sircar, Sarmishtha. “Studies of Gas Adsorption in Flexible Metal-organic Frameworks.” 2014. Thesis, Penn State University. Accessed February 27, 2021.
https://submit-etda.libraries.psu.edu/catalog/21037.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Sircar, Sarmishtha. “Studies of Gas Adsorption in Flexible Metal-organic Frameworks.” 2014. Web. 27 Feb 2021.
Vancouver:
Sircar S. Studies of Gas Adsorption in Flexible Metal-organic Frameworks. [Internet] [Thesis]. Penn State University; 2014. [cited 2021 Feb 27].
Available from: https://submit-etda.libraries.psu.edu/catalog/21037.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Sircar S. Studies of Gas Adsorption in Flexible Metal-organic Frameworks. [Thesis]. Penn State University; 2014. Available from: https://submit-etda.libraries.psu.edu/catalog/21037
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
18.
Han, Shuangbing.
Design and Synthesis of Crystalline and Amorphous
Coordination Materials.
Degree: PhD, Chemistry, 2008, Brown University
URL: https://repository.library.brown.edu/studio/item/bdr:45/
► This dissertation is centered on two areas: (i) rational design and synthesis of robust porous metal-organic frameworks using well-defined building blocks and (ii) synthesis of…
(more)
▼ This dissertation is centered on two areas: (i)
rational design and synthesis of robust porous
metal-
organic
frameworks using well-defined building blocks and (ii) synthesis of
crystalline and amorphous coordination polymers based upon
traditional
organic chemistry. For the rational design and
synthesis, we demonstrated how to achieve maximum interpenetration
by fine tuning the size of the
organic spacer using the Secondary
Building Units (SBUs) approach, and how to avoid interpenetration
using almost the same size of
organic spacer via a pillared-layer
strategy. For synthesis based on
organic chemistry, we have
developed a complementary and alternative covalent-based synthetic
strategy for the synthesis of new coordination compounds in an
effort to incorporate a wider range of compounds in the family of
coordination materials. We synthesized a 4-fold mixed
parallel/diagonal interpenetrating cubic
metal-
organic framework
using octahedral zinc carboxylate Zn4O(OOC-)6 SBUs as nodes and a
long and narrow
organic ligand, 1,4-(4-carboxylic-phenyl)
butadiyne, as linkers. Despite the maximum 4-fold interpenetration,
it contains large void space and high specific surface area. We
synthesized two pillared-layer
metal-
organic frameworks using
infinite 2D tetragonal grid lattices and kagomé lattices as
Supramolecular Building Blocks (SBBs), respectively. The
interpenetration was forbidden in these two
frameworks by judicious
choice of impenetrable 2D SBBs. Both pillared-layered
frameworks
possess unprecedented levels of porosity. The pillared-layer
architecture paradigm we demonstrated in this dissertation points
to a design strategy for the synthesis of large microporous, even
mesoporous
metal organic frameworks (MOFs). We modified discrete
SBUs, synthesized coordination polymer gels and crystalline
coordination polymers by using common
organic coupling reactions
including Huisgen 1, 3-dipolar cycloaddition and homo-alkyne
coupling reactions. We modified coordination nanospheres with long
hydrocarbon chains by esterification reactions. The new covalent-
based synthetic method can provide a wider range of coordination
materials.
Advisors/Committee Members: Moulton, Brian (director), Sweigart, Dwight (reader), Sun, Shouheng (reader).
Subjects/Keywords: Metal-organic frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Han, S. (2008). Design and Synthesis of Crystalline and Amorphous
Coordination Materials. (Doctoral Dissertation). Brown University. Retrieved from https://repository.library.brown.edu/studio/item/bdr:45/
Chicago Manual of Style (16th Edition):
Han, Shuangbing. “Design and Synthesis of Crystalline and Amorphous
Coordination Materials.” 2008. Doctoral Dissertation, Brown University. Accessed February 27, 2021.
https://repository.library.brown.edu/studio/item/bdr:45/.
MLA Handbook (7th Edition):
Han, Shuangbing. “Design and Synthesis of Crystalline and Amorphous
Coordination Materials.” 2008. Web. 27 Feb 2021.
Vancouver:
Han S. Design and Synthesis of Crystalline and Amorphous
Coordination Materials. [Internet] [Doctoral dissertation]. Brown University; 2008. [cited 2021 Feb 27].
Available from: https://repository.library.brown.edu/studio/item/bdr:45/.
Council of Science Editors:
Han S. Design and Synthesis of Crystalline and Amorphous
Coordination Materials. [Doctoral Dissertation]. Brown University; 2008. Available from: https://repository.library.brown.edu/studio/item/bdr:45/

Northeastern University
19.
Wang, Yuanci.
Layered metal-organic frameworks for carbon dioxide capture applications.
Degree: MS, Department of Chemical Engineering, 2017, Northeastern University
URL: http://hdl.handle.net/2047/D20264844
► As the culprit of global warming, the emission of carbon dioxide has gradually become one of the most severe and environmental concerns haunting the human…
(more)
▼ As the culprit of global warming, the emission of carbon dioxide has gradually become one of the most severe and environmental concerns haunting the human beings for several decades. These emissions are mainly generated from the combustion of fossil fuels - the main energy resources for our daily life, economic growth and industrial development (Chen, Kim, & Ahn, 2012). In order to prevent global warming deteriorating, it is urgent for all humankind to seek effective and feasible methods to capture and store carbon dioxide. Undoubtedly, Porous solid materials such as metal-organic frameworks (MOFs) are very promising candidates for this application due to their extraordinary capability of capturing Carbon dioxide and excellent regenerative ability as compared to other materials. The study is to explore the feasibility of a method to synthesize layered MOFs by introducing new organic linkers into amorphous state precursors.; Recently, metal-organic frameworks (MOFs) composed of metal ions and organic linkers to form various dimensional structure, emerge as the cost-effective materials for carbon dioxide capture and separation. Due to the desirable pore property like high surface area, excellent uniformity, and tunable pore size, the MOFs attract a great deal of researchers fixating on solving carbon dioxide issue. On the one hand, by replacing the original organic linkers with the specific organic linkers, the MOFs properties can be modified to make the particular application in the certain field. On the other hand, the selection of multiple metal ions such as some transition metals also make the configurations of MOFs diverse.; The purpose of the study is to search for a feasible and cost-reducing process to form new metal-organic frameworks (MOFs) by hypothetically introducing new organic linkers such as BPBDC (Biphely-4,4-Dibenzoic acid), BDC (Terephthalic acid), DABCO (1,4-diazabicyclo[2.2.2]octane) into the amorphous state of original metal-organic frameworks. Meanwhile, by altering the reaction conditions (reaction time, reaction temperature, the polarity of the solvent, sample preservation state, air condition, the number of organic linkers), the crystallinity and morphology of new layered MOFs can be optimized in the study.
Subjects/Keywords: carbon dioxide; emissions; metal-organic frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Wang, Y. (2017). Layered metal-organic frameworks for carbon dioxide capture applications. (Masters Thesis). Northeastern University. Retrieved from http://hdl.handle.net/2047/D20264844
Chicago Manual of Style (16th Edition):
Wang, Yuanci. “Layered metal-organic frameworks for carbon dioxide capture applications.” 2017. Masters Thesis, Northeastern University. Accessed February 27, 2021.
http://hdl.handle.net/2047/D20264844.
MLA Handbook (7th Edition):
Wang, Yuanci. “Layered metal-organic frameworks for carbon dioxide capture applications.” 2017. Web. 27 Feb 2021.
Vancouver:
Wang Y. Layered metal-organic frameworks for carbon dioxide capture applications. [Internet] [Masters thesis]. Northeastern University; 2017. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/2047/D20264844.
Council of Science Editors:
Wang Y. Layered metal-organic frameworks for carbon dioxide capture applications. [Masters Thesis]. Northeastern University; 2017. Available from: http://hdl.handle.net/2047/D20264844
20.
Zhu, Dongdong.
Metal-Organic Framework Nanosheets for Electrocatalysis.
Degree: 2019, University of Adelaide
URL: http://hdl.handle.net/2440/120416
► Metal-organic frameworks (MOFs) have aroused great interest in many fields due to their appearing properties such as tailorable structure and function, high specific surface area…
(more)
▼ Metal-
organic frameworks (MOFs) have aroused great interest in many fields due to their appearing properties such as tailorable structure and function, high specific surface area and porosity. Electrocatalysis is attractive and significant for the academia and industry because it underpins various clean and renewable technologies like water splitting, fuel cell,
metal-air batteries, etc. In recent years, MOFs-derived materials prepared through post hightemperature calcination have been widely investigated for electrocatalysis. However, the pyrolysis process always destroys the structure of the MOFs, resulting in the agglomeration of
metal nodes and loss of
organic ligands, which are not favourable for electrocatalysis. Meanwhile, only very limited number of works directly used pristine MOFs as electrocatalysts. To this end, this thesis aims to design and synthesize 2D MOF nanosheets and 2D MOF-based hybrid nanosheets for electrocatalysis. The first aspect of this thesis is about Ni-MOF nanosheets with high oxidation state for urea oxidation reaction (UOR). High oxidation state of
metal cations is critical in achieving outstanding performance of many transition
metal-based materials towards electrochemical oxidation reactions such as UOR, which acts as a vital half reaction for several practical applications. However, it is still a great challenge to explore such a kind of materials for high-performance oxidation reactions. Herein, 2D MOF comprising nickel species and
organic ligand of 1,4-benzenedicarboxylic acid (BDC) is fabricated and explored as an electrocatalyst for UOR, which exhibits high activity (120 mA cm-2 at 1.6 V vs. RHE) and strong catalyst durability after continuous operation for 10 hours. The excellent UOR performance is due to high active site density of the 2D MOF, and high oxidation state of the nickel species, which are proved by both X-ray photoelectron spectroscopy and Synchrotronbased X-ray absorption near edge spectra. Our findings provide a suitable material for practical application of UOR, and this 2D MOF strategy could be used to fabricate other electrocatalyst with high oxidation state for a wide range of oxidation reactions. The second aspect of this thesis is about Ni-BDC/Ni(OH)2 hybrid nanosheets for oxygen evolution reaction (OER). Just like graphene, 2D MOF has an unwanted tendency to aggregate, which reduces the specific surface area. Ni(OH)2 is a typical catalyst for OER, but the reaction activity is far from satisfactory probably due to its low oxidation state. The Ni- BDC/Ni(OH)2 hybrid nanosheets prepared through a facile sonication-assisted solution method can perfectly solve these two problems. After hybridization with Ni(OH)2, the large 1 surface area of Ni-BDC is well retained. Moreover, due to the strong electron interactions between BDC from Ni-BDC and Ni cations from Ni(OH)2, the electronic structure of Ni cations from Ni(OH)2 component can be well modified, leading to the generation of Ni cations with higher oxidation state, which surely contribute to enhanced OER…
Advisors/Committee Members: Qiao, Shizhang (advisor), School of Chemical Engineering (school).
Subjects/Keywords: Metal-organic frameworks; electrocatalysis; 2D materials
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Zhu, D. (2019). Metal-Organic Framework Nanosheets for Electrocatalysis. (Thesis). University of Adelaide. Retrieved from http://hdl.handle.net/2440/120416
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):
Zhu, Dongdong. “Metal-Organic Framework Nanosheets for Electrocatalysis.” 2019. Thesis, University of Adelaide. Accessed February 27, 2021.
http://hdl.handle.net/2440/120416.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Zhu, Dongdong. “Metal-Organic Framework Nanosheets for Electrocatalysis.” 2019. Web. 27 Feb 2021.
Vancouver:
Zhu D. Metal-Organic Framework Nanosheets for Electrocatalysis. [Internet] [Thesis]. University of Adelaide; 2019. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/2440/120416.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Zhu D. Metal-Organic Framework Nanosheets for Electrocatalysis. [Thesis]. University of Adelaide; 2019. Available from: http://hdl.handle.net/2440/120416
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Cambridge
21.
Haddad, Salame.
Metal-organic frameworks as intracellular delivery vectors.
Degree: PhD, 2019, University of Cambridge
URL: https://www.repository.cam.ac.uk/handle/1810/294386
► Metal-organic frameworks (MOFs) have emerged as interesting candidates for intracellular carrier-based delivery. These hybrid materials are constituted of metal clusters linked together by organic ligands.…
(more)
▼ Metal-organic frameworks (MOFs) have emerged as interesting candidates for intracellular carrier-based delivery. These hybrid materials are constituted of metal clusters linked together by organic ligands. The possibility to tune their physical and chemical properties both in the bulk and at the surface allows for the design of biocompatible delivery systems with high loading capacities and targeting abilities, combining the benefits of both organic and inorganic materials. The following dissertation focuses on developing and evaluating MOFs as intracellular delivery systems.
In the first instance, a zirconium-based MOF, UiO-66, was synthesised and utilised as an intracellular delivery vector for trehalose, a disaccharide with cryoprotective properties when present in the cytosol. This MOF demonstrated very high trehalose weight loadings compared to other trehalose delivery systems (up to ca. 50 wt %), release of the sugar from the framework over 5 h, and appropriate biocompatibility. To assess the delivery system’s impact on cryopreservation, the viability of cells cryoprotected with trehalose-loaded UiO-66 was tested at 0 h, 24 h, and 48 h post-thaw, and showed no improvement compared to cells frozen with free trehalose or growth media alone. The absence of cryoprotective effect was hypothesised to be due to endosomal entrapment of the delivery system after cellular uptake through endocytosis.
The final fate of particles taken up by cells depends on the endocytosis pathways they go through. In order to confirm the hypothesis of MOF endosomal entrapment, the endocytosis of MOF particles was studied. In particular, the effects of surface chemistry of Zr-based MOFs on their endocytosis mechanisms were investigated. It was found that MOF surface chemistry had an important effect on cellular uptake behaviour, whereas particle size played a less important role. In particular, Zr-based MOFs synthesised using naphthalene-2,6-dicarboxylic acid and 4,4′-biphenyldicarboxylic acid as organic ligands, and UiO 66 particles surface-decorated with folic acid and PEG, promoted entry through the caveolin-pathway. This allowed the particles to potentially avoid endosomal entrapment and reach the cytosol, enhancing their therapeutic activity when loaded with drugs.
Equipped with an understanding of the cellular uptake of MOF particles, a range of mitochondrially-targeted UiO-66 particles capable of bypassing endosomal entrapment was prepared and tested. The UiO-66 particles were loaded with dichloracetic acid (DCA), a small chemotherapeutic drug molecule that acts on mitochondria, and surface-functionalised with triphenylphosphonium, a known mitochondrial targeting agent. The system demonstrated a dramatic increase in efficacy, allowing a reduction in DCA effective dose of ca. 100-fold compared to the free drug, and ca. 10-fold compared to non-targeted, DCA-loaded UiO-66. Confocal microscopy revealed a distribution of the targeted nanoparticles around mitochondria. Super-resolution microscopy of cells treated with the system…
Subjects/Keywords: drug delivery; metal-organic frameworks; nanomedicine
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Haddad, S. (2019). Metal-organic frameworks as intracellular delivery vectors. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/294386
Chicago Manual of Style (16th Edition):
Haddad, Salame. “Metal-organic frameworks as intracellular delivery vectors.” 2019. Doctoral Dissertation, University of Cambridge. Accessed February 27, 2021.
https://www.repository.cam.ac.uk/handle/1810/294386.
MLA Handbook (7th Edition):
Haddad, Salame. “Metal-organic frameworks as intracellular delivery vectors.” 2019. Web. 27 Feb 2021.
Vancouver:
Haddad S. Metal-organic frameworks as intracellular delivery vectors. [Internet] [Doctoral dissertation]. University of Cambridge; 2019. [cited 2021 Feb 27].
Available from: https://www.repository.cam.ac.uk/handle/1810/294386.
Council of Science Editors:
Haddad S. Metal-organic frameworks as intracellular delivery vectors. [Doctoral Dissertation]. University of Cambridge; 2019. Available from: https://www.repository.cam.ac.uk/handle/1810/294386

University of Edinburgh
22.
Graham, Alexander John.
Effect of pressure on metal-organic frameworks (MOFs).
Degree: PhD, 2013, University of Edinburgh
URL: http://hdl.handle.net/1842/8900
► A growing field of research has evolved around the design and synthesis of a variety of porous metal-organic framework (MOF) materials. Some of the most…
(more)
▼ A growing field of research has evolved around the design and synthesis of a variety of porous metal-organic framework (MOF) materials. Some of the most promising areas for which these materials are potentially useful candidates include gas-separation, heterogeneous catalysis, and gas-storage, and all of these applications involve placing the MOF under pressure. There is clearly a need to understand the structural response of MOFs to applied pressure. Nevertheless, hitherto there are very few published investigations dedicated to determining the behaviour of porous hybrid materials under pressure. Through the use of high-pressure single-crystal X-ray diffraction studies, a series of MOF materials have been studied. Here we present the effect of pressure on a series of MOFs. In chapter 2, the effect of pressure on the prototypical MOF called MOF-5 was studied experimentally from ambient pressure to 3.2 GPa. Here, application of pressure was driven by the hydrostatic medium being forced into the pores of the MOF, which altered the mechanical properties of MOF-5, in particular, medium inclusion delayed the onset of amorphization. Complementary computational analysis was also performed to elucidate further the effect of medium inclusion on compressive behaviour. Detailed structural data was also collected as a function of pressure on the MOF Cu-btc. Application of pressure caused solvent to be squeezed into the pores (like MOF-5) until a phase transition occurred, driven by the sudden compression and expansion of equatorial and axial Cu–O bonds. High-pressure post-synthetic modification of a MOF is reported for the first time. On application of pressure of 0.2 GPa to the Cu-based MOF called STAM-1, a ligand exchange reaction takes place resulting in a change in pore size, shape, and hydrophilicity of the resulting pores. Here, we also demonstrate the ability to force hydrophilic molecules into hydrophobic pores using pressure, counteracting the hydrophobic effect. A high-pressure combined experimental and computational study has been carried to probe the effect of pressure on ‘breathing’ mechanisms in a zeolitic imidazolate framework (or ZIF) called ZIF-8. The penetration of guest molecules and the accommodation of pressure are shown to be inextricably linked to the rotation of methylimidazolate groups in the structure. Finally, the application of pressure to the MOF Sc₂BDC₃ and the nitro functionalized derivative Sc₂(NO₂-BDC)₃ was also studied. Here, the effect of chemical modification of the organic ligand, whilst maintaining framework topology, has been investigated as it pertains to compressibility. Directionality of compression is observed and this is rationalized with respect to the framework topology and medium inclusion/exclusion.
Subjects/Keywords: 541; High-pressure; Metal-organic frameworks; MOFs
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Graham, A. J. (2013). Effect of pressure on metal-organic frameworks (MOFs). (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/8900
Chicago Manual of Style (16th Edition):
Graham, Alexander John. “Effect of pressure on metal-organic frameworks (MOFs).” 2013. Doctoral Dissertation, University of Edinburgh. Accessed February 27, 2021.
http://hdl.handle.net/1842/8900.
MLA Handbook (7th Edition):
Graham, Alexander John. “Effect of pressure on metal-organic frameworks (MOFs).” 2013. Web. 27 Feb 2021.
Vancouver:
Graham AJ. Effect of pressure on metal-organic frameworks (MOFs). [Internet] [Doctoral dissertation]. University of Edinburgh; 2013. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1842/8900.
Council of Science Editors:
Graham AJ. Effect of pressure on metal-organic frameworks (MOFs). [Doctoral Dissertation]. University of Edinburgh; 2013. Available from: http://hdl.handle.net/1842/8900

University of Edinburgh
23.
Cessford, Naomi Faye.
Simulation of the synthesis of metal-organic framework materials.
Degree: PhD, 2014, University of Edinburgh
URL: http://hdl.handle.net/1842/17610
► The objective of this work was to develop a molecular simulation method with the capacity to represent the synthesis of metal-organic framework (MOF) structures to…
(more)
▼ The objective of this work was to develop a molecular simulation method with the capacity to represent the synthesis of metal-organic framework (MOF) structures to the extent of being able to accurately predict the MOF structures that form under specified reaction conditions. MOFs are a class of porous, crystalline solids composed of metal-ion vertices coordinated by organic linker molecules. MOFs are created in a self-assembly process in which the building blocks (reactants) retain their integrity. Under different experimental synthesis conditions, a particular combination of building blocks can react to form differing MOF structures. The structure of MOFs confers a large degree of tunability, allowing almost limitless potential for the materials to be designed with the capacity to fulfil the requirements of a specific application. Consequently, MOFs have shown promise for a variety of applications including gas storage, separation and catalysis. Thus, the ability to accurately predict the MOF formed by specifying reaction parameters such as temperature, pH and the concentrations of reactants has great potential because, upon identification of a promising hypothetical structure for a particular application, the synthesis conditions ascertained via the simulation method could be used as the basis for the determination of an experimental synthesis procedure. In addition, a simulation method with the capacity to predict MOF structures affords the opportunity to gain a fundamental understanding of the influence of the experimental synthesis conditions on the structures formed, so as to enable progress towards the rational design of MOFs. In this work, the experimental synthesis of MOFs via self-assembly is modelled using a kinetic Monte Carlo approach. Ideally, simulation of the self-assembly of the building blocks would be modelled atomistically with all atoms in the reactant and solvent molecules represented explicitly. However, due to the prohibitive computational requirements of such a simulation, in this work a “potential-of-mean-force” (PMF) approach was used to represent the solvent implicitly by encompassing the solvent-mediated behaviour in the interactions between building blocks, thereby reducing the computational cost. The PMF approach to the implicit representation of the solvent involved the utilisation of effective pairwise interactions between the constituents of the reactant species. Following extensive testing to ensure that the explicit-solvent behaviour of the reactants could be replicated using the PMF method, this approach allowed computationally efficient implicit-solvent simulations of the synthesis of MOF materials to be performed. Thorough assessment of a method developed to simulate the synthesis of MOFs required investigation of a system which, under different reaction conditions, forms differing structures. In this respect, the cobalt succinates represent an unparalleled test because under different reaction temperatures, reactant concentrations, pH and reaction time, seven different phases…
Subjects/Keywords: 620.1; molecular simulation; metal-organic frameworks; adsorption
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APA (6th Edition):
Cessford, N. F. (2014). Simulation of the synthesis of metal-organic framework materials. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/17610
Chicago Manual of Style (16th Edition):
Cessford, Naomi Faye. “Simulation of the synthesis of metal-organic framework materials.” 2014. Doctoral Dissertation, University of Edinburgh. Accessed February 27, 2021.
http://hdl.handle.net/1842/17610.
MLA Handbook (7th Edition):
Cessford, Naomi Faye. “Simulation of the synthesis of metal-organic framework materials.” 2014. Web. 27 Feb 2021.
Vancouver:
Cessford NF. Simulation of the synthesis of metal-organic framework materials. [Internet] [Doctoral dissertation]. University of Edinburgh; 2014. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1842/17610.
Council of Science Editors:
Cessford NF. Simulation of the synthesis of metal-organic framework materials. [Doctoral Dissertation]. University of Edinburgh; 2014. Available from: http://hdl.handle.net/1842/17610

Georgia Tech
24.
Mounfield, William Pratt.
Acid and base gas exposure and solvent effects on metal-organic framework structure and gas adsorption properties.
Degree: PhD, Chemical and Biomolecular Engineering, 2016, Georgia Tech
URL: http://hdl.handle.net/1853/59148
► With carbon dioxide emissions from the combustion of coal, oil and natural gas comprising nearly 80% of worldwide emissions, and with total global emissions on…
(more)
▼ With carbon dioxide emissions from the combustion of coal, oil and natural gas comprising nearly 80% of worldwide emissions, and with total global emissions on the rise, the need for high-performance, low-cost sorbent materials is ever growing. Solids adsorbents have garnered much interest as CO2 adsorbents as they offer the ability to reduce the regeneration penalty that plagues modern amine scrubbers due to their much lower heat capacities. One class of solid adsorbents is
metal-
organic frameworks (MOFs). These inorganic-
organic hybrid materials have shown promise for a wide range of applications in adsorption separations and catalysis, owing to their high surface areas, vast selection of
metal sources and
organic linkers, and tunable chemical properties. The development of the chemical intuition necessary for targeted experimental synthesis of novel structures would revolutionize the field of adsorption and allow access to the enormous array of chemical and structural properties of these materials. In this dissertation, an investigation on the effects of synthesis solvent and acid gas adsorption on the structure and gas adsorption properties of several MOF structures was performed. The study of MIL-53(Al) revealed that synthesis solvent plays an important role in the structure and CO2 adsorption properties of the framework, a finding that can be leveraged for modification of these properties for specific applications. A comprehensive investigation of the effects of acid gas adsorption on MIL-125 allowed the determination of the degradation mechanism in the presence of water and SO2. This study provided an experimental and computational pathway for the determination of acid gas degradation effects in other MOFs. Finally, a mixed MgAl oxide was explored as a beneficial binding material to increase the adsorption of composites formed with UiO-66 and provide an avenue for future studies of increased adsorption in MOF composites.
Advisors/Committee Members: Walton, Krista S. (advisor), Sholl, David S. (committee member), Lively, Ryan P. (committee member), Filler, Michael A. (committee member), Wilkinson, Angus P. (committee member).
Subjects/Keywords: Metal-organic frameworks; Acid gases; Adsorption; MOF
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Mounfield, W. P. (2016). Acid and base gas exposure and solvent effects on metal-organic framework structure and gas adsorption properties. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/59148
Chicago Manual of Style (16th Edition):
Mounfield, William Pratt. “Acid and base gas exposure and solvent effects on metal-organic framework structure and gas adsorption properties.” 2016. Doctoral Dissertation, Georgia Tech. Accessed February 27, 2021.
http://hdl.handle.net/1853/59148.
MLA Handbook (7th Edition):
Mounfield, William Pratt. “Acid and base gas exposure and solvent effects on metal-organic framework structure and gas adsorption properties.” 2016. Web. 27 Feb 2021.
Vancouver:
Mounfield WP. Acid and base gas exposure and solvent effects on metal-organic framework structure and gas adsorption properties. [Internet] [Doctoral dissertation]. Georgia Tech; 2016. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1853/59148.
Council of Science Editors:
Mounfield WP. Acid and base gas exposure and solvent effects on metal-organic framework structure and gas adsorption properties. [Doctoral Dissertation]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/59148

Georgia Tech
25.
Plaisance, Brandon P.
First principles approach to identification of potential ferroelectric and multiferroic molecular materials.
Degree: MS, Chemical and Biomolecular Engineering, 2016, Georgia Tech
URL: http://hdl.handle.net/1853/55039
► Flexible electronics have garnered much interest over the past several decades. Hybrid organic-inorganic materials, such as metal-organic frameworks, offer a unique opportunity to encompass the…
(more)
▼ Flexible electronics have garnered much interest over the past several decades. Hybrid
organic-inorganic materials, such as
metal-
organic frameworks, offer a unique opportunity to encompass the effective electronic properties of the inorganic material and the flexible nature of the
organic with the potential of enhancing other desirable properties, such as the contributing multiferroicity. Using a first principles approach, the goal of this thesis is to serve as a guide for identifying potential ferroelectric and multiferroic
metal-
organic frameworks. This is done through a screening method of
metal-
organic frameworks based on their geometry; certain symmetry operators cannot be present in a ferroelectric material. We report the theoretical spontaneous polarization for several dozens of MOFs in which ferroelectricity has not previously been tested, and further we discuss the likelihood that these materials could be engineered to have either increased polarization or added ferromagnetism, the latter of which would lead to multiferroicity.
Advisors/Committee Members: Sholl, David S. (advisor), Walton, Krista S. (committee member), Maldovan, Martin (committee member).
Subjects/Keywords: Ferroelectricity; Multiferroicity; Metal-organic frameworks; Ab initio
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Plaisance, B. P. (2016). First principles approach to identification of potential ferroelectric and multiferroic molecular materials. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55039
Chicago Manual of Style (16th Edition):
Plaisance, Brandon P. “First principles approach to identification of potential ferroelectric and multiferroic molecular materials.” 2016. Masters Thesis, Georgia Tech. Accessed February 27, 2021.
http://hdl.handle.net/1853/55039.
MLA Handbook (7th Edition):
Plaisance, Brandon P. “First principles approach to identification of potential ferroelectric and multiferroic molecular materials.” 2016. Web. 27 Feb 2021.
Vancouver:
Plaisance BP. First principles approach to identification of potential ferroelectric and multiferroic molecular materials. [Internet] [Masters thesis]. Georgia Tech; 2016. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/1853/55039.
Council of Science Editors:
Plaisance BP. First principles approach to identification of potential ferroelectric and multiferroic molecular materials. [Masters Thesis]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/55039

Universitat de Valencia
26.
Giménez Marqués, Mónica.
Stimuli-responsive magnetic coordination polymers: from crystals to nanoparticles
.
Degree: 2013, Universitat de Valencia
URL: http://hdl.handle.net/10550/31053
► El trabajo descrito en esta tesis se enmarca en el ámbito de los polímeros de coordinación (PC). Estos sistemas representan un área importante dentro de…
(more)
▼ El trabajo descrito en esta tesis se enmarca en el ámbito de los polímeros de coordinación (PC). Estos sistemas representan un área importante dentro de la Química de los Materiales, siendo principalmente interesantes sus aplicaciones en catálisis, electrónica y óptica. Su origen data de principios de los años 60, donde se produjo la primera revisión de estructuras de compuestos inorgánicos que formaban cadenas.1 Los PC están formados por ligandos orgánicos y metales enlazados por enlaces de coordinación que se extienden infinitamente en 1, 2 o 3 dimensiones. En cuanto a su versatilidad química, las estructuras y propiedades varían en función de los metales o ligandos utilizados. Así pues, la variable naturaleza de los ligandos orgánicos junto con la diversidad de metales posibles dan lugar a un abundante número de potenciales topologías y arquitecturas que pueden ser ingeniadas mediante un diseño químico apropiado. Los PC dan lugar a redes regulares con una tremenda estabilidad química, aunque también pueden formar sólidos flexibles que responden a estímulos externos de interés.
Uno de los hallazgos más interesantes dentro de este campo de los PC ha sido el hecho de constatar que muchos PC con estructuras flexibles presentan cierto dinamismo2 que está directamente relacionado con la flexibilidad del ligando3 o con la habilidad que poseen los centros metálicos de coordinación para aceptar/intercambiar moléculas coordinadas. Estos materiales dinámicos son capaces de desarrollar cambios estructurales de forma reversible, siendo excepcionalmente útiles para la preparación de sofisticados materiales multifuncionales con propiedades físicas modulables. Esto resulta de particular interés en materiales magnéticos, ya que sus propiedades físicas son extremadamente sensibles a pequeños cambios estructurales provocados por un estímulo externo.
Los polímeros magnéticos de coordinación (PMC) son una clase de materiales magnéticos especialmente interesantes debido a sus potenciales aplicaciones en el desarrollo de materiales magnéticos de baja densidad, sensores magnéticos y materiales inteligentes o multifuncionales.4
El magnetismo tiene su origen en los portadores de espín, que son centros metálicos paramagnéticos o ligandos orgánicos radicales. Dependiendo del origen del acoplamiento entre estos portadores, podemos distinguir entre dos tipos diferentes de PMC: i) los PMC que presentan ordenamiento magnético; y ii) los PMC basados en complejos de transición de espín.
Advisors/Committee Members: Mínguez Espallargas, Guillermo (advisor).
Subjects/Keywords: magnetismo;
química inorgánica;
metal-organic frameworks;
nanoparticles
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Giménez Marqués, M. (2013). Stimuli-responsive magnetic coordination polymers: from crystals to nanoparticles
. (Doctoral Dissertation). Universitat de Valencia. Retrieved from http://hdl.handle.net/10550/31053
Chicago Manual of Style (16th Edition):
Giménez Marqués, Mónica. “Stimuli-responsive magnetic coordination polymers: from crystals to nanoparticles
.” 2013. Doctoral Dissertation, Universitat de Valencia. Accessed February 27, 2021.
http://hdl.handle.net/10550/31053.
MLA Handbook (7th Edition):
Giménez Marqués, Mónica. “Stimuli-responsive magnetic coordination polymers: from crystals to nanoparticles
.” 2013. Web. 27 Feb 2021.
Vancouver:
Giménez Marqués M. Stimuli-responsive magnetic coordination polymers: from crystals to nanoparticles
. [Internet] [Doctoral dissertation]. Universitat de Valencia; 2013. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/10550/31053.
Council of Science Editors:
Giménez Marqués M. Stimuli-responsive magnetic coordination polymers: from crystals to nanoparticles
. [Doctoral Dissertation]. Universitat de Valencia; 2013. Available from: http://hdl.handle.net/10550/31053

University of Cambridge
27.
Haddad, Salame.
Metal-organic frameworks as intracellular delivery vectors.
Degree: PhD, 2019, University of Cambridge
URL: https://doi.org/10.17863/CAM.41485
;
https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.782917
► Metal-organic frameworks (MOFs) have emerged as interesting candidates for intracellular carrier-based delivery. These hybrid materials are constituted of metal clusters linked together by organic ligands.…
(more)
▼ Metal-organic frameworks (MOFs) have emerged as interesting candidates for intracellular carrier-based delivery. These hybrid materials are constituted of metal clusters linked together by organic ligands. The possibility to tune their physical and chemical properties both in the bulk and at the surface allows for the design of biocompatible delivery systems with high loading capacities and targeting abilities, combining the benefits of both organic and inorganic materials. The following dissertation focuses on developing and evaluating MOFs as intracellular delivery systems. In the first instance, a zirconium-based MOF, UiO-66, was synthesised and utilised as an intracellular delivery vector for trehalose, a disaccharide with cryoprotective properties when present in the cytosol. This MOF demonstrated very high trehalose weight loadings compared to other trehalose delivery systems (up to ca. 50 wt %), release of the sugar from the framework over 5 h, and appropriate biocompatibility. To assess the delivery system's impact on cryopreservation, the viability of cells cryoprotected with trehalose-loaded UiO-66 was tested at 0 h, 24 h, and 48 h post-thaw, and showed no improvement compared to cells frozen with free trehalose or growth media alone. The absence of cryoprotective effect was hypothesised to be due to endosomal entrapment of the delivery system after cellular uptake through endocytosis. The final fate of particles taken up by cells depends on the endocytosis pathways they go through. In order to confirm the hypothesis of MOF endosomal entrapment, the endocytosis of MOF particles was studied. In particular, the effects of surface chemistry of Zr-based MOFs on their endocytosis mechanisms were investigated. It was found that MOF surface chemistry had an important effect on cellular uptake behaviour, whereas particle size played a less important role. In particular, Zr-based MOFs synthesised using naphthalene-2,6-dicarboxylic acid and 4,4'-biphenyldicarboxylic acid as organic ligands, and UiO 66 particles surface-decorated with folic acid and PEG, promoted entry through the caveolin-pathway. This allowed the particles to potentially avoid endosomal entrapment and reach the cytosol, enhancing their therapeutic activity when loaded with drugs. Equipped with an understanding of the cellular uptake of MOF particles, a range of mitochondrially-targeted UiO-66 particles capable of bypassing endosomal entrapment was prepared and tested. The UiO-66 particles were loaded with dichloracetic acid (DCA), a small chemotherapeutic drug molecule that acts on mitochondria, and surface-functionalised with triphenylphosphonium, a known mitochondrial targeting agent. The system demonstrated a dramatic increase in efficacy, allowing a reduction in DCA effective dose of ca. 100-fold compared to the free drug, and ca. 10-fold compared to non-targeted, DCA-loaded UiO-66. Confocal microscopy revealed a distribution of the targeted nanoparticles around mitochondria. Super-resolution microscopy of cells treated with the system revealed…
Subjects/Keywords: drug delivery; metal-organic frameworks; nanomedicine
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Haddad, S. (2019). Metal-organic frameworks as intracellular delivery vectors. (Doctoral Dissertation). University of Cambridge. Retrieved from https://doi.org/10.17863/CAM.41485 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.782917
Chicago Manual of Style (16th Edition):
Haddad, Salame. “Metal-organic frameworks as intracellular delivery vectors.” 2019. Doctoral Dissertation, University of Cambridge. Accessed February 27, 2021.
https://doi.org/10.17863/CAM.41485 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.782917.
MLA Handbook (7th Edition):
Haddad, Salame. “Metal-organic frameworks as intracellular delivery vectors.” 2019. Web. 27 Feb 2021.
Vancouver:
Haddad S. Metal-organic frameworks as intracellular delivery vectors. [Internet] [Doctoral dissertation]. University of Cambridge; 2019. [cited 2021 Feb 27].
Available from: https://doi.org/10.17863/CAM.41485 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.782917.
Council of Science Editors:
Haddad S. Metal-organic frameworks as intracellular delivery vectors. [Doctoral Dissertation]. University of Cambridge; 2019. Available from: https://doi.org/10.17863/CAM.41485 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.782917

Virginia Tech
28.
Rowe, Jennifer Maria.
Luminescent Properties of Anthracene-based Metal-Organic Frameworks.
Degree: MS, Chemistry, 2016, Virginia Tech
URL: http://hdl.handle.net/10919/71684
► Metal-organic frameworks (MOFs) are crystalline materials composed of metal clusters and organic ligands. MOFs that exhibit photoluminescence are promising materials for a broad range of…
(more)
▼ Metal-
organic frameworks (MOFs) are crystalline materials composed of
metal clusters and
organic ligands. MOFs that exhibit photoluminescence are promising materials for a broad range of applications. Due to their structural tunability and crystalline nature, luminescent MOFs also provide an excellent platform for studying structure–property relationships of materials.
The photophysical properties of three anthracene-dicarboxylic acids – 1,4-anthracene dicarboxylic acid (1,4-ADCA), 2,6-anthracene dicarboxylic acid (2,6-ADCA) and 9,10-anthracene dicarboxylic acid (9,10-ADCA) – were studied in a series of polar aprotic solvents using steady-state absorption, steady-state emission spectroscopy and time-correlated single photon counting (TCSPC) emission lifetime spectroscopy. The addition of carboxylic acid functional groups on the anthracene ring alters photophysical properties to varying degrees depending on the location and protonation state. Density functional theory (DFT) calculations reveal that the lowest-energy ground-state structures of both 2,6-ADCA and 1,4-ADCA have dihedral angles between the carboxylic acids and aromatic planes of θ = 0°, while the same dihedral angle increases to θ = 56.6° for 9,10-ADCA. Time-dependent DFT calculations suggest that the carboxyl groups of 1,4-ADCA and 2,6-ADCA remain coplanar with the anthracene ring system in the excited state. In contrast, the calculations reveal significant changes between the ground and excited geometries for 9,10-ADCA and puckering of the anthracene moiety of is observed.
The three anthracene dicarboxylic acids were then incorporated into zirconium-based MOFs. The MOF structures were characterized using powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM). The steady-state absorption and emission spectra as well as the fluorescence lifetimes of the MOFs were compared to that of the corresponding ligand in solution. The MOFs comprising 9,10-ADCA and 2,6-ADCA formed highly crystalline octahedral shaped crystals and were found to be isostructural with the well-known UiO-66 and UiO-67
frameworks. However, incorporation of the 1,4-ADCA ligand resulted in large rod-shaped crystals. The absorption spectra of the MOFs are broadened and redshifted compared with that of the corresponding free ligands. The emission spectra of the MOFs constructed from 9,10-ADCA and 1,4-ADCA display emission bands that resemble that of the free ligand in acidic solutions, but are slightly broadened and redshifted in the MOF. Little difference is observed between that of 2,6-ADCA within the MOF and in acidic solution. The broadening and redshift observed in the absorption and emission is indicative of intermolecular interactions between anthracene units and/or with the Zr4+ clusters. The fluorescence lifetimes measured for the anthracene-based MOFs show a long component, comparable to the lifetime of the free ligand, along with shorter component. This may also suggest intermolecular interactions between chromophores in the MOFs.
Altogether, derivatization of…
Advisors/Committee Members: Morris, Amanda (committeechair), Morris, John R. (committee member), Tissue, Brian M. (committee member).
Subjects/Keywords: Metal-Organic Frameworks; luminescence; photophysics; anthracene
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Rowe, J. M. (2016). Luminescent Properties of Anthracene-based Metal-Organic Frameworks. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/71684
Chicago Manual of Style (16th Edition):
Rowe, Jennifer Maria. “Luminescent Properties of Anthracene-based Metal-Organic Frameworks.” 2016. Masters Thesis, Virginia Tech. Accessed February 27, 2021.
http://hdl.handle.net/10919/71684.
MLA Handbook (7th Edition):
Rowe, Jennifer Maria. “Luminescent Properties of Anthracene-based Metal-Organic Frameworks.” 2016. Web. 27 Feb 2021.
Vancouver:
Rowe JM. Luminescent Properties of Anthracene-based Metal-Organic Frameworks. [Internet] [Masters thesis]. Virginia Tech; 2016. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/10919/71684.
Council of Science Editors:
Rowe JM. Luminescent Properties of Anthracene-based Metal-Organic Frameworks. [Masters Thesis]. Virginia Tech; 2016. Available from: http://hdl.handle.net/10919/71684

University of Sydney
29.
Hua, Carol.
Triarylamines for the Development of Redox-Active Multifunctional Materials
.
Degree: 2015, University of Sydney
URL: http://hdl.handle.net/2123/14112
► The use of redox activity as a switch in the design of multifunctional systems – materials that are capable of changing their properties as a…
(more)
▼ The use of redox activity as a switch in the design of multifunctional systems – materials that are capable of changing their properties as a function of the redox state – has received limited attention in the literature despite the high versatility and potential this strategy poses. The well-known redox and spectral properties of triarylamines make them ideal redox-active moieties for incorporation into multifunctional materials. This thesis investigates the design, synthesis and application of triarylamine redox-active multifunctional materials. Materials ranging from discrete complexes to crystalline coordination polymers and amorphous organic polymers were explored. From a fundamental perspective, a series of discrete Ru2+, Rh3+, Ir3+ and Re+ molecular complexes containing novel bispyrazolylmethane ligands with the triarylamine core were synthesised and their spectral and electronic properties investigated. Higher dimensionality materials, Metal-Organic Frameworks (MOFs) and Porous Organic Polymers (POPs) containing triarylamines were then explored, where the spectral, fluorescence and host-guest properties of the materials were able to be tuned as a function of the redox state. In situ UV/Vis/NIR, EPR and fluorescence spectroelectrochemical techniques in both the solution and solid-states formed an integral part of the characterisation of these advanced materials. The work in this thesis describes a systematic approach towards the study of the fundamental and applied aspects of redox activity as a platform for multifunctional systems. This study should pave the way towards the design of redox active multifunctional materials with increasing functionality that can be controlled and fine-tuned.
Subjects/Keywords: Redox-active;
triarylamines;
polymers;
metal-organic frameworks
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Hua, C. (2015). Triarylamines for the Development of Redox-Active Multifunctional Materials
. (Thesis). University of Sydney. Retrieved from http://hdl.handle.net/2123/14112
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):
Hua, Carol. “Triarylamines for the Development of Redox-Active Multifunctional Materials
.” 2015. Thesis, University of Sydney. Accessed February 27, 2021.
http://hdl.handle.net/2123/14112.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
MLA Handbook (7th Edition):
Hua, Carol. “Triarylamines for the Development of Redox-Active Multifunctional Materials
.” 2015. Web. 27 Feb 2021.
Vancouver:
Hua C. Triarylamines for the Development of Redox-Active Multifunctional Materials
. [Internet] [Thesis]. University of Sydney; 2015. [cited 2021 Feb 27].
Available from: http://hdl.handle.net/2123/14112.
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation
Council of Science Editors:
Hua C. Triarylamines for the Development of Redox-Active Multifunctional Materials
. [Thesis]. University of Sydney; 2015. Available from: http://hdl.handle.net/2123/14112
Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Ohio University
30.
Del Valle, Ian M.
Formation of Functionalized Supramolecular Metallo-organic
Oligomers with Cucurbituril.
Degree: MS, Chemistry (Arts and Sciences), 2015, Ohio University
URL: http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1449233679
► The goal of this project is to functionalize supramolecular oligomer chains with amino acids and nucleic acids in order to observe interactions with proteins and…
(more)
▼ The goal of this project is to functionalize
supramolecular oligomer chains with amino acids and nucleic acids
in order to observe interactions with proteins and DNA. Chiral
substituents are also desirable to induce helicality in the
oligomer much like DNA. We explored different pathways to afford
these oligomers.The first project involves forming metallo-
organic
oligomers using non-covalent bonds and then functionalizing them.
We synthesize ligands and use alkyne-azide cycloadditions to
functionalize them. These ligands can then be coordinated to
various transition metals. The aromatic regions of these oligomers
can then self-assemble into tube-like chains with the participation
of cucurbit[8]uril.Second, we explore an alternate pathway to form
functionalized chains. This second set of chains coupled amines
with carboxylic acid groups attached to the ligands. This project
hopes to avoid solubility problems experienced with the first
project. We also explore other alterations to the ligand being
used.
Advisors/Committee Members: Masson, Eric (Advisor).
Subjects/Keywords: Chemistry; cucurbituril; metal organic frameworks; supramolecular; oligomer
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Del Valle, I. M. (2015). Formation of Functionalized Supramolecular Metallo-organic
Oligomers with Cucurbituril. (Masters Thesis). Ohio University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1449233679
Chicago Manual of Style (16th Edition):
Del Valle, Ian M. “Formation of Functionalized Supramolecular Metallo-organic
Oligomers with Cucurbituril.” 2015. Masters Thesis, Ohio University. Accessed February 27, 2021.
http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1449233679.
MLA Handbook (7th Edition):
Del Valle, Ian M. “Formation of Functionalized Supramolecular Metallo-organic
Oligomers with Cucurbituril.” 2015. Web. 27 Feb 2021.
Vancouver:
Del Valle IM. Formation of Functionalized Supramolecular Metallo-organic
Oligomers with Cucurbituril. [Internet] [Masters thesis]. Ohio University; 2015. [cited 2021 Feb 27].
Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1449233679.
Council of Science Editors:
Del Valle IM. Formation of Functionalized Supramolecular Metallo-organic
Oligomers with Cucurbituril. [Masters Thesis]. Ohio University; 2015. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1449233679
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