subject:(Radical cation)

University of Rochester

1. Feinberg, Adam M. (1989 - ). Fragmentation mechanisms of aryltrialkylsilane and -germane cation radicals.

Degree: PhD, 2017, University of Rochester

► Chapter I. The fragmentation mechanisms of aryltrialkylsilane and aryltrialkylgermane cation radicals were investigated. Nanosecond transient absorption spectroscopy (NTAS) of the photooxidation reactions of 4-biphenyltrimethylsilane (BPTMS)… (more)

▼ Chapter I. The fragmentation mechanisms of aryltrialkylsilane and aryltrialkylgermane cation radicals were investigated. Nanosecond transient absorption spectroscopy (NTAS) of the photooxidation reactions of 4-biphenyltrimethylsilane (BPTMS) and 4-methoxyphenyltrimethylsilane (pAnTMS) indicate that the corresponding cation radicals undergo bimolecular reactions with methanol and tert-butanol, resulting in cation radical decay. Interestingly, preparative photolyses indicate that the cations radicals, BPTMS+∙ and pAnTMS+∙ do not fragment in solution. Investigations of the ortho-methylated species, 2,5-dimethylphenyltrimethylsilane (25XylTMS) and 2,6-dimethylphenyltrimethylsilane (26XylTMS) indicate that the corresponding cation radicals undergo rapid bimolecular decay in the presence of methanol, n-butanol, and t-butanol. Product studies of the photooxidations of 25XylTMS and 26XylTMS show that the cation radicals decay through two different pathways: fragmentation and deprotonation followed by benzylic oxidation. The fragmentations were determined to occur via a nucleophile-assisted, bimolecular pathway, and the ratio of fragmentation and deprotonation decay pathways were found to be nucleophile dependent. Photooxidations of 4-methoxyphenyltrimethylgermane (pAnTMGe), 4-biphenyltrimethylgermane (BPTMGe), and 4-tert-butylphenyltrimethylgermane (tBuPhTMGe) showed that all three aryltrialkylgermanes produced cation radicals which react rapidly with nucleophiles in solution. Product studies of photooxidations indicate that pAnTMGe+∙ and tBuPhTMGe+∙ undergo fragmentation in the presence of nucleophiles. In contrast, the reactions of BPTMGe+∙ with nucleophiles appear to follow a non-degradative pathway; return electron transfer and reversible addition of nucleophile to the aryl ring are possible explanations. NTAS measurements and product studies indicate that the fragmentations of pAnTMGe+∙ and tBuPhTMGe+∙ proceed by a bimolecular, nucleophile-assisted pathway. Chapter II. Reactions of 2,6-lutidine (Lut) and 4-phenylpyridine (4PPy) with ethoxyl radical in acetonitrile were investigated by nanosecond transient absorption spectroscopy (NTAS). NTAS measurements indicate that ethoxyl radical reacts rapidly with both Lut and 4PPy with bimolecular rate constants of 3.5 × 107 M-1s-1 and 1.4 × 108 M-1s-1, respectively. Reactions of ethoxyl radical with Lut and 4PPy are shown to produce the corresponding N-hydropyridinyl radicals, LutH∙ and 4PPyH∙. The assignments of LutH∙ and 4PPyH∙ are confirmed by comparison of observed absorption spectra to spectra independently generated by the reduction of Lut and 4PPy by acetone ketyl radical in acetonitrile. Additionally, a distinct primary kinetic isotope effect is observed when d5-ethoxyl radical is used. These data are the first direct evidence in support of a novel proton coupled electron transfer proposed previously, and the first example of alkoxyl radicals behaving as hydrogen atom donors in reactions with closed-shell molecules.

Subjects/Keywords: Alkoxyl radical; Cation radical; Mechanistic; Organic; Photochemistry

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APA (6^th Edition):

Feinberg, A. M. (. -. ). (2017). Fragmentation mechanisms of aryltrialkylsilane and -germane cation radicals. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/32858

Chicago Manual of Style (16^th Edition):

Feinberg, Adam M (1989 - ). “Fragmentation mechanisms of aryltrialkylsilane and -germane cation radicals.” 2017. Doctoral Dissertation, University of Rochester. Accessed January 24, 2021. http://hdl.handle.net/1802/32858.

MLA Handbook (7^th Edition):

Feinberg, Adam M (1989 - ). “Fragmentation mechanisms of aryltrialkylsilane and -germane cation radicals.” 2017. Web. 24 Jan 2021.

Vancouver:

Feinberg AM(-). Fragmentation mechanisms of aryltrialkylsilane and -germane cation radicals. [Internet] [Doctoral dissertation]. University of Rochester; 2017. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/1802/32858.

Council of Science Editors:

Feinberg AM(-). Fragmentation mechanisms of aryltrialkylsilane and -germane cation radicals. [Doctoral Dissertation]. University of Rochester; 2017. Available from: http://hdl.handle.net/1802/32858

2. Verma, Rahul. The effect of conjugation and homoconjugation on radical cation structure and reactivity;.

Degree: Chemistry, 2014, Chaudhary Charan Singh University

URL: http://shodhganga.inflibnet.ac.in/handle/10603/23622

None newline

Summary p. 1-12, Refrences p. 145-164

Advisors/Committee Members: Kapoor, Rakesh.

Subjects/Keywords: Homoconjugation; Radical Cation; Reactivity

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APA (6^th Edition):

Verma, R. (2014). The effect of conjugation and homoconjugation on radical cation structure and reactivity;. (Thesis). Chaudhary Charan Singh University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/23622

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Verma, Rahul. “The effect of conjugation and homoconjugation on radical cation structure and reactivity;.” 2014. Thesis, Chaudhary Charan Singh University. Accessed January 24, 2021. http://shodhganga.inflibnet.ac.in/handle/10603/23622.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Verma, Rahul. “The effect of conjugation and homoconjugation on radical cation structure and reactivity;.” 2014. Web. 24 Jan 2021.

Vancouver:

Verma R. The effect of conjugation and homoconjugation on radical cation structure and reactivity;. [Internet] [Thesis]. Chaudhary Charan Singh University; 2014. [cited 2021 Jan 24]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/23622.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Verma R. The effect of conjugation and homoconjugation on radical cation structure and reactivity;. [Thesis]. Chaudhary Charan Singh University; 2014. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/23622

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Leicester

3. Rideout, Jan. Selected radical cations : an E.S.R. study.

Degree: PhD, 1986, University of Leicester

URL: http://hdl.handle.net/2381/33870

► This thesis is concerned with a process which has become commonly used. Producing radical cations specifically for observation at reduced temperatures within the X-band electron… (more)

Subjects/Keywords: 541.38; Radical cation production

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APA (6^th Edition):

Rideout, J. (1986). Selected radical cations : an E.S.R. study. (Doctoral Dissertation). University of Leicester. Retrieved from http://hdl.handle.net/2381/33870

Chicago Manual of Style (16^th Edition):

Rideout, Jan. “Selected radical cations : an E.S.R. study.” 1986. Doctoral Dissertation, University of Leicester. Accessed January 24, 2021. http://hdl.handle.net/2381/33870.

MLA Handbook (7^th Edition):

Rideout, Jan. “Selected radical cations : an E.S.R. study.” 1986. Web. 24 Jan 2021.

Vancouver:

Rideout J. Selected radical cations : an E.S.R. study. [Internet] [Doctoral dissertation]. University of Leicester; 1986. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/2381/33870.

Council of Science Editors:

Rideout J. Selected radical cations : an E.S.R. study. [Doctoral Dissertation]. University of Leicester; 1986. Available from: http://hdl.handle.net/2381/33870

4. Vyas, Vijay. Design and Synthesis of Polycyclic Aromatic Hydrocarbons for Emission and Through-Space Charge Delocalization Studies.

Degree: 2012, Marquette University

URL: https://epublications.marquette.edu/dissertations_mu/184

► Over the past decades, a variety of pi-conjugated organic materials have been explored as potential charge transport materials in conducting layers of photovoltaic devices. The… (more)

▼ Over the past decades, a variety of pi-conjugated organic materials have been explored as potential charge transport materials in conducting layers of photovoltaic devices. The performance of these devices critically depend on the efficiency with which the charge carriers (electrons and/or holes) move within the pi-conjugated materials present in their hole and electron conducting layers before their collection at the electrode. Hence, a large amount of research effort is devoted not only to the preparation of new pi-conjugated organic molecules for charge transport applications but also in understanding the nature of charge transport along the molecule (intra-chain) as well as between the molecules (through space or inter chain) when they are packed together in different orientations and varied extent of overlapping. As a model mimicking the packing of organic chromophores with varying degree of overlap in conducting layers of photovoltaic devices, a series of alkyl substituted pyrenes with incrementing bulk around the pyrene chromophore was prepared. The structure-activity relationship was studied by evaluating the effect of introducing the sterics on pyrene core upon pi-pi stacking as observed in monomer/excimer emission as well as that of binding ability of cation radical with its neutral counterpart to form a dimeric cation radical. The electronic and steric influence of aryl groups on the pyrene core was evaluated by preparing a series of tetraaryl substituted pyrenes. A series of nanometer size tetraarylethylenes with increasing emission quantum yields was also prepared and the optoelectronic properties were studied. Using 9-position of fluorene backbone for the attachment of solubilizing groups; 2,7-position for the Suzuki coupling reaction; and 3,6-position for Scholl reaction, a number of new emissive chromophores including doubly annulated fluorenes, helicenes and molecular hubs for the construction of dendrimeric structures were also prepared and the optoelectronic properties were studied. Advisors/Committee Members: Rathore, Rajendra, Steinmetz, Mark G., Gardinier, James R..

Subjects/Keywords: Cation radical; charge delocalization; emissive materials; fluorene; PAH; pyrene; Organic Chemistry

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APA (6^th Edition):

Vyas, V. (2012). Design and Synthesis of Polycyclic Aromatic Hydrocarbons for Emission and Through-Space Charge Delocalization Studies. (Thesis). Marquette University. Retrieved from https://epublications.marquette.edu/dissertations_mu/184

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Vyas, Vijay. “Design and Synthesis of Polycyclic Aromatic Hydrocarbons for Emission and Through-Space Charge Delocalization Studies.” 2012. Thesis, Marquette University. Accessed January 24, 2021. https://epublications.marquette.edu/dissertations_mu/184.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Vyas, Vijay. “Design and Synthesis of Polycyclic Aromatic Hydrocarbons for Emission and Through-Space Charge Delocalization Studies.” 2012. Web. 24 Jan 2021.

Vancouver:

Vyas V. Design and Synthesis of Polycyclic Aromatic Hydrocarbons for Emission and Through-Space Charge Delocalization Studies. [Internet] [Thesis]. Marquette University; 2012. [cited 2021 Jan 24]. Available from: https://epublications.marquette.edu/dissertations_mu/184.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Vyas V. Design and Synthesis of Polycyclic Aromatic Hydrocarbons for Emission and Through-Space Charge Delocalization Studies. [Thesis]. Marquette University; 2012. Available from: https://epublications.marquette.edu/dissertations_mu/184

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

5. San Pedro, Joanna Maria Nolasco. Investigating the Direct and Indirect Effects of Ionizing Radiation on DNA Via Independent Generation of Nucleobase Radicals and Investigating DNA Damage by Enediyne C-1027.

Degree: 2014, Johns Hopkins University

URL: http://jhir.library.jhu.edu/handle/1774.2/36944

► Ionizing radiation damages DNA indirectly via the formation of •OH, which reacts with DNA to form nucleobase and deoxyribose radicals; or directly to generate nucleobase… (more)

▼ Ionizing radiation damages DNA indirectly via the formation of •OH, which reacts with DNA to form nucleobase and deoxyribose radicals; or directly to generate nucleobase radical cations. These nucleobase reactive intermediates have been suggested to result in direct strand scission in DNA. Pyrimidine peroxyl radicals are also proposed to initiate electron transfer. The reactivity of these intermediates must be examined more thoroughly in order to fully understand the chemical effects of ionizing radiation on DNA. We synthesized photochemical precursors for the reactive intermediates produced by the effects of ionizing radiation on thymidine, specifically, 5,6-dihydro-5-hydroxy-thymidin-6-yl (2) and its analog (5,6-dihydrouridin-6-yl, 23), thymidine radical cation (1), and 5,6-dihydro-thymidin-5-yl radical (22). These were studied as monomers in solution or within chemically synthesized oligonucleotides. Herein, we report that radicals 2 and 23, along with their respective peroxyl radicals, did not produce direct strand breaks or base-labile lesions in DNA. We also did not find evidence that the pyrimidine peroxyl radicals initiate electron transfer. The pyrimidine peroxyl radicals, however, add to the 5'-adjacent nucleotide (with a preference for dG) to form biochemically deleterious tandem and clustered lesions. The majority of the reactivity (93%) of thymidine radical cation (1) involves hydration at the C5 position, while a minor amount (~7%) of products results from the deprotonation pathway. In DNA, 1 does not generate direct strand scission. However, 1 abstracts hydrogen atom(s) from the 5'-adjacent deoxyribose sugar, leading to NaOH-labile sugar lesions. Electron transfer to 1 occurs from the 5'-adjacent nucleotide, forming oxidized nucleobases. We also show that 2 does not dehydrate to 1, in contrast to earlier proposals. C-1027 is a potent antitumor agent that damages DNA by forming oxidized sugar lesions resulting from hydrogen atom abstraction from the C1', C4', and C5' positions. It also has the unique ability to generate interstrand cross-links (ICLs) under anaerobic conditions. We find that the damage produced by C-1027 on different DNA sequences is more diverse than previously thought. We also propose that the abasic site (AP) results from a covalent modification of the nucleobase by the drug. Analysis of the chemical stability of the ICLs suggests that in some of the ICLs, direct addition of C-1027 to the nucleobase occurs. Advisors/Committee Members: Greenberg, Marc M (advisor).

Subjects/Keywords: DNA damage; oxidized lesions; clustered lesions; nucleobase radicals; thymidine radical cation; hydroxyl radical adducts of thymidine; oxidized abasic sites

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APA (6^th Edition):

San Pedro, J. M. N. (2014). Investigating the Direct and Indirect Effects of Ionizing Radiation on DNA Via Independent Generation of Nucleobase Radicals and Investigating DNA Damage by Enediyne C-1027. (Thesis). Johns Hopkins University. Retrieved from http://jhir.library.jhu.edu/handle/1774.2/36944

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

San Pedro, Joanna Maria Nolasco. “Investigating the Direct and Indirect Effects of Ionizing Radiation on DNA Via Independent Generation of Nucleobase Radicals and Investigating DNA Damage by Enediyne C-1027.” 2014. Thesis, Johns Hopkins University. Accessed January 24, 2021. http://jhir.library.jhu.edu/handle/1774.2/36944.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

San Pedro, Joanna Maria Nolasco. “Investigating the Direct and Indirect Effects of Ionizing Radiation on DNA Via Independent Generation of Nucleobase Radicals and Investigating DNA Damage by Enediyne C-1027.” 2014. Web. 24 Jan 2021.

Vancouver:

San Pedro JMN. Investigating the Direct and Indirect Effects of Ionizing Radiation on DNA Via Independent Generation of Nucleobase Radicals and Investigating DNA Damage by Enediyne C-1027. [Internet] [Thesis]. Johns Hopkins University; 2014. [cited 2021 Jan 24]. Available from: http://jhir.library.jhu.edu/handle/1774.2/36944.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

San Pedro JMN. Investigating the Direct and Indirect Effects of Ionizing Radiation on DNA Via Independent Generation of Nucleobase Radicals and Investigating DNA Damage by Enediyne C-1027. [Thesis]. Johns Hopkins University; 2014. Available from: http://jhir.library.jhu.edu/handle/1774.2/36944

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

6. Campbell, John M. Anodic Olefin Coupling Reactions: Experimental and Computational Methods for Investigating the Intramolecular Cyclization Reactions of Electrooxidatively-Generated Radicals and Radical Cations.

Degree: PhD, Chemistry, 2014, Washington University in St. Louis

URL: https://openscholarship.wustl.edu/etd/1225

Subjects/Keywords: electrochemistry; mechanism; oxidation; radical; radical cation

…of radical cation intermediates. Despite a reputation for requiring “complex” equipment… …Radical Cation Intermediates to Trigger New Umpolung Reactions.” Synlett. 2009 (8 )… …substrate to produce a radical cation. For a complicated substrate with multiple functional groups… …leads to a radical cation. The radical cation contains an unpaired electron which is in a… …material and the SOMO of the radical cation are frequently assumed to be similar, but this is not…

12 more images…

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APA (6^th Edition):

Campbell, J. M. (2014). Anodic Olefin Coupling Reactions: Experimental and Computational Methods for Investigating the Intramolecular Cyclization Reactions of Electrooxidatively-Generated Radicals and Radical Cations. (Doctoral Dissertation). Washington University in St. Louis. Retrieved from https://openscholarship.wustl.edu/etd/1225

Chicago Manual of Style (16^th Edition):

Campbell, John M. “Anodic Olefin Coupling Reactions: Experimental and Computational Methods for Investigating the Intramolecular Cyclization Reactions of Electrooxidatively-Generated Radicals and Radical Cations.” 2014. Doctoral Dissertation, Washington University in St. Louis. Accessed January 24, 2021. https://openscholarship.wustl.edu/etd/1225.

MLA Handbook (7^th Edition):

Campbell, John M. “Anodic Olefin Coupling Reactions: Experimental and Computational Methods for Investigating the Intramolecular Cyclization Reactions of Electrooxidatively-Generated Radicals and Radical Cations.” 2014. Web. 24 Jan 2021.

Vancouver:

Campbell JM. Anodic Olefin Coupling Reactions: Experimental and Computational Methods for Investigating the Intramolecular Cyclization Reactions of Electrooxidatively-Generated Radicals and Radical Cations. [Internet] [Doctoral dissertation]. Washington University in St. Louis; 2014. [cited 2021 Jan 24]. Available from: https://openscholarship.wustl.edu/etd/1225.

Council of Science Editors:

Campbell JM. Anodic Olefin Coupling Reactions: Experimental and Computational Methods for Investigating the Intramolecular Cyclization Reactions of Electrooxidatively-Generated Radicals and Radical Cations. [Doctoral Dissertation]. Washington University in St. Louis; 2014. Available from: https://openscholarship.wustl.edu/etd/1225

Temple University

7. Bohinski, Timothy Blaise. STRONG FIELD MOLECULAR IONIZATION: CONTROLLED DISSOCIATION IN RADICAL CATIONS WITH DYNAMIC RESONANCES AND ADIABATICALLY PREPARED LAUNCH STATES.

Degree: PhD, 2015, Temple University

URL: http://digital.library.temple.edu/u?/p245801coll10,310686

►

Chemistry

This dissertation investigates the electronic spectroscopy of a series of alkyl phenyl ketone radical cations and the dynamics of selective launch states in the… (more)

▼

Chemistry

This dissertation investigates the electronic spectroscopy of a series of alkyl phenyl ketone radical cations and the dynamics of selective launch states in the strong field regime with tunable near infrared ultrashort laser pulses from 790 nm - 1550 nm coupled to mass spectrometric detection. Our method relies on tunable strong field laser pulses in the range from 1150 nm - 1550 nm to adiabatically ioinized gas phase molecules and prepare ions in the ground ionic state that serve as a launch state for future excitation and control. Adiabatic ionization is capable of transferring little energy to the molecule and producing a majority of a parent molecular ion in comparison to nonadiabatic ionization wherein multiple ionic states can be populated with an accompanying high degree of molecular fragmentation. We measure a dynamic resonance in the low lying electronic states of the acetopheone radical cation via preparation of a launch state with adiabatic ionization followed by a one photon transition within a single pulse duration which facilitates bond dissociation to produce the benzoyl ion. Experiments on acetophenone homologues and derivatives elucidate the structural dependence of the electronic resonance and supporting ab initio calculations identify the dynamic resonance along the molecular torsional coordinate between the ground ionic state, D0, and second excited state, D2. Post ionization excitation within the pulse duration transfers the ground state wavepacket to the D2 surface where the wavepacket encounters a three state conical intersection that facilitates the preferred bond dissociation. Time resolved photodissociation experiments measure the dynamics of the launch state, large amplitude oscillations and extended coherence times support the notion that adiabatic ionization populates a majority of the ground ionic surface. Control of the dissociation products is initiated from the launch state by varying the pump wavelength and probe intensity. Elimination of the D0 wavepacket with a 1370 nm reveals additional secondary dynamics that are attributed to wavepacket motion on the D2 surface. Finally, the effect of para substitution on the acetophenone radical cation is explored as a strategy to control the launch state wavepacket dynamics. Suppresion of the wavepacket dynamics are observed with the addition of alkoxy groups whereas extended coherence of the launch state dynamics approaching ~5 ps is observed upon trifluoromethyl substitution. A possible mechanism for the extended coherenece based on coupled torsional rotors is proposed.

Temple University – Theses

Advisors/Committee Members: Levis, Robert J.;, Matsika, Spiridoula, Borguet, Eric, Weinacht, Thomas C.;.

Subjects/Keywords: Physical education;

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APA (6^th Edition):

Bohinski, T. B. (2015). STRONG FIELD MOLECULAR IONIZATION: CONTROLLED DISSOCIATION IN RADICAL CATIONS WITH DYNAMIC RESONANCES AND ADIABATICALLY PREPARED LAUNCH STATES. (Doctoral Dissertation). Temple University. Retrieved from http://digital.library.temple.edu/u?/p245801coll10,310686

Chicago Manual of Style (16^th Edition):

Bohinski, Timothy Blaise. “STRONG FIELD MOLECULAR IONIZATION: CONTROLLED DISSOCIATION IN RADICAL CATIONS WITH DYNAMIC RESONANCES AND ADIABATICALLY PREPARED LAUNCH STATES.” 2015. Doctoral Dissertation, Temple University. Accessed January 24, 2021. http://digital.library.temple.edu/u?/p245801coll10,310686.

MLA Handbook (7^th Edition):

Bohinski, Timothy Blaise. “STRONG FIELD MOLECULAR IONIZATION: CONTROLLED DISSOCIATION IN RADICAL CATIONS WITH DYNAMIC RESONANCES AND ADIABATICALLY PREPARED LAUNCH STATES.” 2015. Web. 24 Jan 2021.

Vancouver:

Bohinski TB. STRONG FIELD MOLECULAR IONIZATION: CONTROLLED DISSOCIATION IN RADICAL CATIONS WITH DYNAMIC RESONANCES AND ADIABATICALLY PREPARED LAUNCH STATES. [Internet] [Doctoral dissertation]. Temple University; 2015. [cited 2021 Jan 24]. Available from: http://digital.library.temple.edu/u?/p245801coll10,310686.

Council of Science Editors:

Bohinski TB. STRONG FIELD MOLECULAR IONIZATION: CONTROLLED DISSOCIATION IN RADICAL CATIONS WITH DYNAMIC RESONANCES AND ADIABATICALLY PREPARED LAUNCH STATES. [Doctoral Dissertation]. Temple University; 2015. Available from: http://digital.library.temple.edu/u?/p245801coll10,310686

University of Colorado

8. Nichols, Charles Michael. Gas-Phase Ion Chemistry: Kinetics and Thermodynamics.

Degree: PhD, Chemistry & Biochemistry, 2015, University of Colorado

URL: https://scholar.colorado.edu/chem_gradetds/181

► This thesis employs gas-phase ion chemistry to study the kinetics and thermodynamics of chemical reactions and molecular properties. Gas-phase ion chemistry is important in… (more)

Subjects/Keywords: alpha effect; dicyanamide; ionic liquids; nitroazoles; nucleophilicity; oxygen radical cation; Analytical Chemistry; Physical Chemistry

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APA (6^th Edition):

Nichols, C. M. (2015). Gas-Phase Ion Chemistry: Kinetics and Thermodynamics. (Doctoral Dissertation). University of Colorado. Retrieved from https://scholar.colorado.edu/chem_gradetds/181

Chicago Manual of Style (16^th Edition):

Nichols, Charles Michael. “Gas-Phase Ion Chemistry: Kinetics and Thermodynamics.” 2015. Doctoral Dissertation, University of Colorado. Accessed January 24, 2021. https://scholar.colorado.edu/chem_gradetds/181.

MLA Handbook (7^th Edition):

Nichols, Charles Michael. “Gas-Phase Ion Chemistry: Kinetics and Thermodynamics.” 2015. Web. 24 Jan 2021.

Vancouver:

Nichols CM. Gas-Phase Ion Chemistry: Kinetics and Thermodynamics. [Internet] [Doctoral dissertation]. University of Colorado; 2015. [cited 2021 Jan 24]. Available from: https://scholar.colorado.edu/chem_gradetds/181.

Council of Science Editors:

Nichols CM. Gas-Phase Ion Chemistry: Kinetics and Thermodynamics. [Doctoral Dissertation]. University of Colorado; 2015. Available from: https://scholar.colorado.edu/chem_gradetds/181

Durham University

9. Lay, Alexander Kit. New π-electron donor systems based on 1,4-dithin derivatives.

Degree: PhD, 1997, Durham University

URL: http://etheses.dur.ac.uk/4725/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242656

► A review of organic, π-electron donor molecules is given. The focus is on non- tetrathiafulvalene based systems. Polycyclic arenes, thioalkyl substituted arenes, chalcogenated fulvalenes, peri-dichalcogen… (more)

Subjects/Keywords: 547; Radical cation salts; Organic conductors

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APA (6^th Edition):

Lay, A. K. (1997). New π-electron donor systems based on 1,4-dithin derivatives. (Doctoral Dissertation). Durham University. Retrieved from http://etheses.dur.ac.uk/4725/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242656

Chicago Manual of Style (16^th Edition):

Lay, Alexander Kit. “New π-electron donor systems based on 1,4-dithin derivatives.” 1997. Doctoral Dissertation, Durham University. Accessed January 24, 2021. http://etheses.dur.ac.uk/4725/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242656.

MLA Handbook (7^th Edition):

Lay, Alexander Kit. “New π-electron donor systems based on 1,4-dithin derivatives.” 1997. Web. 24 Jan 2021.

Vancouver:

Lay AK. New π-electron donor systems based on 1,4-dithin derivatives. [Internet] [Doctoral dissertation]. Durham University; 1997. [cited 2021 Jan 24]. Available from: http://etheses.dur.ac.uk/4725/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242656.

Council of Science Editors:

Lay AK. New π-electron donor systems based on 1,4-dithin derivatives. [Doctoral Dissertation]. Durham University; 1997. Available from: http://etheses.dur.ac.uk/4725/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242656

University of Georgia

10. Stevenson, Susan Marie. The discovery of chromium-photocatalyzed radical cation reactions and exploits in 1,6-enyne cycloisomerization.

Degree: 2017, University of Georgia

URL: http://hdl.handle.net/10724/36901

► In recent years, the reemergence of photoredox catalysis has inspired exciting new prospects in the field of synthetic organic chemistry. Visible light-activated complexes of rare… (more)

Subjects/Keywords: Photocatalysis; Radical cation reaction; Diels-Alder cycloaddition; Alkyne activation; Cycloisomerization; Alkyl migration

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APA (6^th Edition):

Stevenson, S. M. (2017). The discovery of chromium-photocatalyzed radical cation reactions and exploits in 1,6-enyne cycloisomerization. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/36901

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Stevenson, Susan Marie. “The discovery of chromium-photocatalyzed radical cation reactions and exploits in 1,6-enyne cycloisomerization.” 2017. Thesis, University of Georgia. Accessed January 24, 2021. http://hdl.handle.net/10724/36901.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Stevenson, Susan Marie. “The discovery of chromium-photocatalyzed radical cation reactions and exploits in 1,6-enyne cycloisomerization.” 2017. Web. 24 Jan 2021.

Vancouver:

Stevenson SM. The discovery of chromium-photocatalyzed radical cation reactions and exploits in 1,6-enyne cycloisomerization. [Internet] [Thesis]. University of Georgia; 2017. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10724/36901.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Stevenson SM. The discovery of chromium-photocatalyzed radical cation reactions and exploits in 1,6-enyne cycloisomerization. [Thesis]. University of Georgia; 2017. Available from: http://hdl.handle.net/10724/36901

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

11. Navale, Tushar. Design, Synthesis and Study of Polycyclic Aromatic Hydrocarbons and their Cation Radicals.

Degree: 2012, Marquette University

URL: https://epublications.marquette.edu/dissertations_mu/187

► The unifying theme of most of optoelectronic devices revolves around the charge carrier mobility of the organic materials used in the conductive layers, which is… (more)

▼ The unifying theme of most of optoelectronic devices revolves around the charge carrier mobility of the organic materials used in the conductive layers, which is a measure of how easily the electron/hole moves in a particular pi conjugated organic material. When pi conjugated materials are incorporated in these devices, molecules are generally layered in random orientation. Consequently, the efficiency of charge transport in the conducting layers of these devices is governed not only by the intramolecular electron/hole transport through the backbone of the molecule but also by the intermolecular electron/hole transport between the molecules and hence packing of these molecules plays a critical role in the efficiency of these devices. Although significant progress has been made in understanding the charge transport mechanisms in various polycyclic aromatic hydrocarbons (PAHs), the usefulness of such materials in functional devices remains limited; hence design and synthesis of new PAHs to better understand the charge transport mechanisms remains an active area of research. A novel series of methoxydibenzochrysenes was designed and synthesized utilizing ferric chloride mediated oxidative cyclodehydrogenation as a key step. We have also shown that numerous 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes can be prepared from a readily available tetraarylethylenes using 1 and 2 equivalents of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), respectively. A similar oxidative cyclodehydrogenation strategy was used for synthesizing a highly soluble, larger derivative of hexa-peri-hexabenzocoronene (HBC), where twelve carbon-carbon bonds are formed in a single step. Deployment of fluorenes at the periphery of the HBC core not only imparts solubility to the structure, but also allows the new PAHs to be functionalized further to make bigger PAHs. X-ray crystal structure determination of octamethoxydibenzochrysene cation radical and 1,4,5,8-tetramethoxyanthracene dimer cation radical, in addition to their neutral structures, allowed us to delineate the effect of electron removal on their bond length changes. Definitive X-ray crystallographic evidence is obtained for a single hole to be uniformly distributed on the three equivalent 1,2-dimethoxybenzenoid (or veratrole) rings in the hexamethoxytriptycene cation radical. This conclusion is further supported by electrochemical analysis and by the observation of an intense near-IR transition in its electronic spectrum, as well as by comparison of the spectral and electrochemical characteristics with the model compounds containing one and two dimethoxybenzene rings. A new class of intervalance cation radicals from p-diaryloxybenzenes was also studied. Advisors/Committee Members: Rathore, Rajendra, Gardinier, James, Fiedler, Adam.

Subjects/Keywords: Cation Radical; Charge Delocalization; Charge Resonance Transition; Cyclic Voltammetry; Polycyclic Aromatic Hydrocarbons; Organic Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Navale, T. (2012). Design, Synthesis and Study of Polycyclic Aromatic Hydrocarbons and their Cation Radicals. (Thesis). Marquette University. Retrieved from https://epublications.marquette.edu/dissertations_mu/187

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Navale, Tushar. “Design, Synthesis and Study of Polycyclic Aromatic Hydrocarbons and their Cation Radicals.” 2012. Thesis, Marquette University. Accessed January 24, 2021. https://epublications.marquette.edu/dissertations_mu/187.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Navale, Tushar. “Design, Synthesis and Study of Polycyclic Aromatic Hydrocarbons and their Cation Radicals.” 2012. Web. 24 Jan 2021.

Vancouver:

Navale T. Design, Synthesis and Study of Polycyclic Aromatic Hydrocarbons and their Cation Radicals. [Internet] [Thesis]. Marquette University; 2012. [cited 2021 Jan 24]. Available from: https://epublications.marquette.edu/dissertations_mu/187.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Navale T. Design, Synthesis and Study of Polycyclic Aromatic Hydrocarbons and their Cation Radicals. [Thesis]. Marquette University; 2012. Available from: https://epublications.marquette.edu/dissertations_mu/187

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Virginia Tech

12. Grimm, Michelle L. Development of New N-Cyclopropyl Based Electron Transfer Probes for Cytochrome P-450 and Monoamine Oxidase Catalyzed Reactions.

Degree: PhD, Chemistry, 2011, Virginia Tech

URL: http://hdl.handle.net/10919/37919

► The recent upsurge of degenerative diseases believed to be the result of oxidative stress has sparked an increased interest in utilizing the fundamental principles of… (more)

▼ The recent upsurge of degenerative diseases believed to be the result of oxidative stress has sparked an increased interest in utilizing the fundamental principles of physical organic chemistry to understand biological problems. Enzyme pathways can pose several experimental complications due to their complexity, therefore the small molecule probe approach can be utilized in an attempt understand the more complex enzyme mechanisms. The work described in this dissertation focuses on the use of N-cyclopropyl amines that have been used as probes to study the mechanism of monoamine oxidase (MAO) and cytochrome P-450 (cP-450). A photochemical model study of benzophenone triplet (3BP) with the MAO-B substrate 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) and two of itâ s derivatives, 1-cyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridine and (+/-)-[trans-2-phenylcyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridine is presented in Chapter 2. The barrier for ring opening of aminyl radical cations derived from N-cyclopropyl derivatives of tertiary amines (such as MPTP) is expected to be low. Reactions of 3BP with all three compounds are very similar. The results suggest that the reaction between benzophenone triplet and tertiary aliphatic amines proceed via a simple hydrogen atom transfer reaction. Additionally these model examinations provide evidence that oxidations of N-cyclopropyl derivatives of MPTP catalyzed by MAO-B may not be consistent with a pure SET pathway. The chemistry of N-cyclopropyl amines has been used to study the mechanism of amine oxidations by cP-450. Until recently, the rate constant for these ring opening reactions has not been reported. Direct electrochemical examinations of N-cyclopropyl-N-methylaniline showed that the radical cation undergoes a unimolecular rearrangement consistent with a cyclopropyl ring opening reaction. Examination of both the direct and indirect electrochemical data showed that the oxidation potential N-cyclopropyl-N-methylaniline to be +0.528 V (0.1 M Ag+/Ag), and rate constant for ring opening of 4.1 x 10⁴ s^-1. These results are best explained by two phenomena: (i) a resonance effect in which the spin and charge of the radical cation in the ring closed form is delocalized into the benzene ring hindering the overall rate of the ring opening reaction, and/or (ii) the lowest energy conformation of the molecule does not meet the stereoelectronic requirements for a ring opening pathway. Therefore a new series of spiro cyclopropanes were designed to lock the cyclopropyl group into the appropriate bisected conformation. The electrochemical results reported herein show that the rate constant for ring opening of 1'-methyl-3',4'-dihydro-1'H-spiro[cyclopropane-1,2'-quinoline] and 6'-chloro-1'-methyl-3',4'-dihydro-1'H-spiro[cyclopropane-1,2'-quinoline] are 3.5 x 10² s^-1 and 4.1 x 10² s^-1 with redox potentials of 0.3 V and 0.366 V respectively. In order to examine a potential resonance effect a derivative of… Advisors/Committee Members: Tanko, James M. (committeechair), Castagnoli, Neal Jr. (committee member), Mahaney, James M. (committee member), Buchanan, J. Paige (committee member).

Subjects/Keywords: Cyclopropane ring opening; Radical cation; Cyclopropyl amines; Hydrogen atom transfer; Single electron transfer

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APA (6^th Edition):

Grimm, M. L. (2011). Development of New N-Cyclopropyl Based Electron Transfer Probes for Cytochrome P-450 and Monoamine Oxidase Catalyzed Reactions. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/37919

Chicago Manual of Style (16^th Edition):

Grimm, Michelle L. “Development of New N-Cyclopropyl Based Electron Transfer Probes for Cytochrome P-450 and Monoamine Oxidase Catalyzed Reactions.” 2011. Doctoral Dissertation, Virginia Tech. Accessed January 24, 2021. http://hdl.handle.net/10919/37919.

MLA Handbook (7^th Edition):

Grimm, Michelle L. “Development of New N-Cyclopropyl Based Electron Transfer Probes for Cytochrome P-450 and Monoamine Oxidase Catalyzed Reactions.” 2011. Web. 24 Jan 2021.

Vancouver:

Grimm ML. Development of New N-Cyclopropyl Based Electron Transfer Probes for Cytochrome P-450 and Monoamine Oxidase Catalyzed Reactions. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10919/37919.

Council of Science Editors:

Grimm ML. Development of New N-Cyclopropyl Based Electron Transfer Probes for Cytochrome P-450 and Monoamine Oxidase Catalyzed Reactions. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/37919

NSYSU

13. Chen, Wun-Yu. Hypervalent Iodine-Mediated Reaction of Anilines with Pyridines to Benzo[4,5]imidazo[1,2-a]pyridine Derivatives.

Degree: Master, Chemistry, 2017, NSYSU

URL: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0619117-144154

► It was found that hypervalent iodine, such as (diacetoxyiodo)benzene and [bis(trifluoroacetoxy)iodo]benzene could mediate reaction of anilines with pyridines in mild reaction to give benzo[4,5]imidazo[1,2-a]pyridine derivatives.… (more)

Subjects/Keywords: nitrenium ion; 2-a]pyridine; heterocycles compound; cation radical; benzo[4; 5]imidazo[1; benzimidazole; hypervalent iodine

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APA (6^th Edition):

Chen, W. (2017). Hypervalent Iodine-Mediated Reaction of Anilines with Pyridines to Benzo[4,5]imidazo[1,2-a]pyridine Derivatives. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0619117-144154

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Chen, Wun-Yu. “Hypervalent Iodine-Mediated Reaction of Anilines with Pyridines to Benzo[4,5]imidazo[1,2-a]pyridine Derivatives.” 2017. Thesis, NSYSU. Accessed January 24, 2021. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0619117-144154.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Chen, Wun-Yu. “Hypervalent Iodine-Mediated Reaction of Anilines with Pyridines to Benzo[4,5]imidazo[1,2-a]pyridine Derivatives.” 2017. Web. 24 Jan 2021.

Vancouver:

Chen W. Hypervalent Iodine-Mediated Reaction of Anilines with Pyridines to Benzo[4,5]imidazo[1,2-a]pyridine Derivatives. [Internet] [Thesis]. NSYSU; 2017. [cited 2021 Jan 24]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0619117-144154.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chen W. Hypervalent Iodine-Mediated Reaction of Anilines with Pyridines to Benzo[4,5]imidazo[1,2-a]pyridine Derivatives. [Thesis]. NSYSU; 2017. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0619117-144154

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Oxford

14. Tait, Claudia E. Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems.

Degree: PhD, 2015, University of Oxford

URL: http://ora.ox.ac.uk/objects/uuid:b0535d55-89aa-4d89-b210-b49caf6b857e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.647676

► The research described in this thesis employs a variety of Electron Paramagnetic Resonance (EPR) techniques for the study of the electronic and structural properties of… (more)

▼ The research described in this thesis employs a variety of Electron Paramagnetic Resonance (EPR) techniques for the study of the electronic and structural properties of artificial supramolecular porphyrin systems and of protein complexes of biological relevance. The electron delocalisation in the cationic radical and photoexcited triplet states of linear and cyclic Π-conjugated multiporphyrin arrays was investigated. In the radical cations, information on the extent of delocalisation can be inferred from the measurement of hyperfine couplings, either indirectly from the continuous wave EPR spectrum or directly using pulsed hyperfine EPR techniques. The results of room temperature EPR experiments showed complete delocalisation of the electron on the timescale of the EPR experiments, but frozen solution EPR measurements revealed localisation onto mainly two to three porphyrin units in the larger porphyrin systems. Information on the delocalisation of the triplet state in the same porphyrin systems is contained both in the hyperfine couplings and in the zero-field splitting (ZFS) interaction. The results outlined in this thesis show that the hyperfine couplings provide a much more accurate estimate of the extent of delocalisation. The trends in proton and nitrogen hyperfine couplings with the size of the porphyrin systems indicate uneven spin density distributions over the linear arrays, but complete delocalisation in the cyclic systems. Time-resolved EPR and magnetophotoselection experiments have shown a reorientation of the zero-field splitting tensor between a single porphyrin unit and longer linear arrays, resulting in alignment of the main optical transition moment and the Z axis of the ZFS tensor. Continuous wave and pulsed dipolar EPR techniques were employed for the determination of the structure of two different protein complexes, the homomultimeric twin-arginine translocase A (TatA) protein channel and the ferredoxin-P450 complex of the electron transport chain in Novosphingobium aromaticivorans. The interaction between nitroxide spin labels introduced at different positions of the TatA monomer was investigated in the complex reconstituted in detergent micelles by analysing the dipolar broadening of the EPR spectra and the results of three- and four-pulse Double Electron-Electron Resonance (DEER) measurements. In combination with results from NMR and molecular dynamics calculations, a structure for the channel complex was proposed. The structure of the ferredoxin-cytochrome P450 complex was investigated by orientation-selective DEER between nitroxide labels introduced on the cytochrome P450 protein and the iron-sulfur cluster of the ferredoxin. The distance and orientation information contained in the experimental DEER data was interpreted in terms of a structural model of the protein complex by orientation-selective DEER simulations combined with a modelling approach based on protein-protein docking.

Subjects/Keywords: 538; Physical & theoretical chemistry; Biophysical chemistry; Spectroscopy and molecular structure; porphyrins; triplet state; radical cation; hyperfine interaction; protein structure

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Tait, C. E. (2015). Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:b0535d55-89aa-4d89-b210-b49caf6b857e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.647676

Chicago Manual of Style (16^th Edition):

Tait, Claudia E. “Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems.” 2015. Doctoral Dissertation, University of Oxford. Accessed January 24, 2021. http://ora.ox.ac.uk/objects/uuid:b0535d55-89aa-4d89-b210-b49caf6b857e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.647676.

MLA Handbook (7^th Edition):

Tait, Claudia E. “Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems.” 2015. Web. 24 Jan 2021.

Vancouver:

Tait CE. Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems. [Internet] [Doctoral dissertation]. University of Oxford; 2015. [cited 2021 Jan 24]. Available from: http://ora.ox.ac.uk/objects/uuid:b0535d55-89aa-4d89-b210-b49caf6b857e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.647676.

Council of Science Editors:

Tait CE. Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems. [Doctoral Dissertation]. University of Oxford; 2015. Available from: http://ora.ox.ac.uk/objects/uuid:b0535d55-89aa-4d89-b210-b49caf6b857e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.647676

15. SEYEDEH FATEMEH SEYEDREIHANI. A study on the kinetics of the reaction between chlorpromazine cation radical and pyrogallol.

Degree: 2009, National University of Singapore

URL: http://scholarbank.nus.edu.sg/handle/10635/15806

Subjects/Keywords: chlorpromazine cation radical; kinetics; mechanism; antiradical activity

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APA (6^th Edition):

SEYEDREIHANI, S. F. (2009). A study on the kinetics of the reaction between chlorpromazine cation radical and pyrogallol. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/15806

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

SEYEDREIHANI, SEYEDEH FATEMEH. “A study on the kinetics of the reaction between chlorpromazine cation radical and pyrogallol.” 2009. Thesis, National University of Singapore. Accessed January 24, 2021. http://scholarbank.nus.edu.sg/handle/10635/15806.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

SEYEDREIHANI, SEYEDEH FATEMEH. “A study on the kinetics of the reaction between chlorpromazine cation radical and pyrogallol.” 2009. Web. 24 Jan 2021.

Vancouver:

SEYEDREIHANI SF. A study on the kinetics of the reaction between chlorpromazine cation radical and pyrogallol. [Internet] [Thesis]. National University of Singapore; 2009. [cited 2021 Jan 24]. Available from: http://scholarbank.nus.edu.sg/handle/10635/15806.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

SEYEDREIHANI SF. A study on the kinetics of the reaction between chlorpromazine cation radical and pyrogallol. [Thesis]. National University of Singapore; 2009. Available from: http://scholarbank.nus.edu.sg/handle/10635/15806

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

East Tennessee State University

16. Acheampong, Edward. Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation.

Degree: MS, Chemistry, 2018, East Tennessee State University

URL: https://dc.etsu.edu/etd/3489

► Guanine is generally accepted as the most easily oxidized DNA base when cells are subjected to ionizing radiation, photoionization or photosensitization. At pH 7,… (more)

Subjects/Keywords: Guanine Radical Cation; Cysteine; Tyrosine; Histidine; Tryptophan; Proton/Electron Transfer; Spin Density; Density Functional Theory; Physical Chemistry

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APA (6^th Edition):

Acheampong, E. (2018). Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation. (Thesis). East Tennessee State University. Retrieved from https://dc.etsu.edu/etd/3489

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Acheampong, Edward. “Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation.” 2018. Thesis, East Tennessee State University. Accessed January 24, 2021. https://dc.etsu.edu/etd/3489.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Acheampong, Edward. “Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation.” 2018. Web. 24 Jan 2021.

Vancouver:

Acheampong E. Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation. [Internet] [Thesis]. East Tennessee State University; 2018. [cited 2021 Jan 24]. Available from: https://dc.etsu.edu/etd/3489.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Acheampong E. Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation. [Thesis]. East Tennessee State University; 2018. Available from: https://dc.etsu.edu/etd/3489

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Cincinnati

17. MACK, ERIC T. PHOTOCHEMICAL TOOLS FOR THE MANIPULATION OF BIOLOGICAL MACROMOLECULES.

Degree: PhD, Arts and Sciences : Chemistry, 2005, University of Cincinnati

URL: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1115756611

► The reactive intermediate produced upon photolysis of 8-azidoadenosine was studied by chemical trapping studies, laser flash photolysis with UV-Vis and IR detection, and modern computational… (more)

▼ The reactive intermediate produced upon photolysis of 8-azidoadenosine was studied by chemical trapping studies, laser flash photolysis with UV-Vis and IR detection, and modern computational chemistry. It is concluded that photolysis of 8-azidoadenosine in aqueous solution releases the corresponding singlet nitrene which rapidly tautomerizes to form a closed adenosine diazaquinodimethane in less than 400 fs. The singlet nitrene is too short lived to be observed, and thus, to relax to the lowest triplet state or to become covalently attach to targeted biological macromolecules. The pivotal closed adenosine diazaquinodimethane, the product of nitrene tautomerization, has a lifetime of several minutes, ca. a minute or longer in water and in HEPES buffer at ambient temperature. However, this intermediate reacts rapidly with good nucleophiles such as amines, thiols, and phenolates, and significantly more slowly with weak nucleophile such as alcohols and water. On the basis of these studies, it is clear that the closed adenosine diazaquinondimethane is the pivotal reactive intermediate involved in photolabeling and cross-linking studies using the 8-azidoadenosine family of photoaffinity labeling reagents.Pyrene dihydrodioxins have been synthesized and shown to be effective photochemical blocking groups for pyrene-4,5-dione. The mechanism of quinone release proceeds through the formation of a remarkably stable radical cation. Direct evidence is provided that this radical cation is not only thermally labile, but also is photochemically labile, and that both pathways lead to quinone extrusion. Once initiated with UV light, the pyrene quinone product serves as an electron transfer photosensitizer for the further release of quinone with visible light. The water soluble pyrene dihydrodioxin has been shown to bind to duplex DNA by intercalation (Ka = 7 x 10 ⁵ ) and cleave the ΦX 174 supercoiled plasmid upon irradiation with UV light (364 nm). This compound also exhibits cytotoxic activity at the micromolar range in a number of human cancer cell lines. Extending these ideas, a pyrene dihydrodioxin incorporating a pyridinium salt as a possible internal electron trap has been shown to release quinone in the presence of dsDNA. The quinone release from an acenaphthene keto-oxetane compound has been briefly investigated. Advisors/Committee Members: Wilson, Dr. R. (Advisor).

Subjects/Keywords: Chemistry, Organic; Photochemistry; 8-azidoadenosine; dihydrodioxin; radical-cation

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APA (6^th Edition):

MACK, E. T. (2005). PHOTOCHEMICAL TOOLS FOR THE MANIPULATION OF BIOLOGICAL MACROMOLECULES. (Doctoral Dissertation). University of Cincinnati. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=ucin1115756611

Chicago Manual of Style (16^th Edition):

MACK, ERIC T. “PHOTOCHEMICAL TOOLS FOR THE MANIPULATION OF BIOLOGICAL MACROMOLECULES.” 2005. Doctoral Dissertation, University of Cincinnati. Accessed January 24, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1115756611.

MLA Handbook (7^th Edition):

MACK, ERIC T. “PHOTOCHEMICAL TOOLS FOR THE MANIPULATION OF BIOLOGICAL MACROMOLECULES.” 2005. Web. 24 Jan 2021.

Vancouver:

MACK ET. PHOTOCHEMICAL TOOLS FOR THE MANIPULATION OF BIOLOGICAL MACROMOLECULES. [Internet] [Doctoral dissertation]. University of Cincinnati; 2005. [cited 2021 Jan 24]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1115756611.

Council of Science Editors:

MACK ET. PHOTOCHEMICAL TOOLS FOR THE MANIPULATION OF BIOLOGICAL MACROMOLECULES. [Doctoral Dissertation]. University of Cincinnati; 2005. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1115756611

University of Cincinnati

18. Jaunbergs, Janis. AROMATIC RADICAL CATION COUPLING IN BIOMIMETIC ALKALOID SYNTHESIS.

Degree: PhD, Arts and Sciences : Chemistry, 2002, University of Cincinnati

URL: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1024673469

► Oxidative coupling between phenol or phenol ether aromatic systems is the crucial biosynthetic step towards numerous plant metabolites, e.g., alkaloids. Similar coupling reactions with transition… (more)

Subjects/Keywords: radical cation; aromatic coupling; phenolic coupling; morphinandienone; neospirinedienone

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Jaunbergs, J. (2002). AROMATIC RADICAL CATION COUPLING IN BIOMIMETIC ALKALOID SYNTHESIS. (Doctoral Dissertation). University of Cincinnati. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=ucin1024673469

Chicago Manual of Style (16^th Edition):

Jaunbergs, Janis. “AROMATIC RADICAL CATION COUPLING IN BIOMIMETIC ALKALOID SYNTHESIS.” 2002. Doctoral Dissertation, University of Cincinnati. Accessed January 24, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1024673469.

MLA Handbook (7^th Edition):

Jaunbergs, Janis. “AROMATIC RADICAL CATION COUPLING IN BIOMIMETIC ALKALOID SYNTHESIS.” 2002. Web. 24 Jan 2021.

Vancouver:

Jaunbergs J. AROMATIC RADICAL CATION COUPLING IN BIOMIMETIC ALKALOID SYNTHESIS. [Internet] [Doctoral dissertation]. University of Cincinnati; 2002. [cited 2021 Jan 24]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1024673469.

Council of Science Editors:

Jaunbergs J. AROMATIC RADICAL CATION COUPLING IN BIOMIMETIC ALKALOID SYNTHESIS. [Doctoral Dissertation]. University of Cincinnati; 2002. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1024673469

19. Wang, Furong. Reactivity of the Solvated Electron, the Hydroxyl Radical and its Precursor in Deuterated Water Studied by Picosecond Pulse Radiolysis : Réactivité de l'électron solvaté, du radical hydroxyle et de son précurseur dans l'eau lourde, étudiée par la radiolyse pulsée picoseconde.

Degree: Docteur es, Chimie, 2018, Université Paris-Saclay (ComUE)

URL: http://www.theses.fr/2018SACLS399

►

Des mesures de radiolyse impulsionnelle avec des paquets d’électron de 7 picosecondes ont été effectuées dans des systèmes D₂O et D₂SO₄ / D₂O purs afin… (more)

▼

Des mesures de radiolyse impulsionnelle avec des paquets d’électron de 7 picosecondes ont été effectuées dans des systèmes D₂O et D₂SO₄ / D₂O purs afin d'étudier l'effet isotopique sur la réactivité de l'électron solvaté (es⁻), du radical hydroxyle (OH•) et de son radical cation cationique (H₂O•⁺). Dans le système D₂O, le spectre d'absorption molaire de l’électron solvaté dans D₂O a été déterminé entre 250 et 1500 nm en utilisant la méthode du point isosbestique. Sur la base de ce coefficient d'extinction, le rendement radiolytique de es⁻ dans D₂O juste après l'impulsion d'électrons de 7 ps a été déterminé à (4,4 ± 0,2) × 10⁻⁷ mol J⁻¹, ce qui coïncide avec celui dans H₂O. Le rendement du radical OD• juste après l'impulsion d'électrons s'est révélée être (5,0 ± 0,2) × 10⁻⁷ mol J⁻¹. Dans le cas de l’électron solvaté la vitesse de déclin dans D₂O est plus lent que dans H₂O, tandis que la vitesse de déclin de OD• est similaire à celui de OH•. Dans le système D₂SO₄ /D₂O, la réactivité de D₂O•⁺ a été sondée dans des solutions d'acide sulfurique deutérées de diverses concentrations et comparée à celle de H₂O•⁺. Le soluté oxydé, le radical sulfate a été observé à 7 ps et des rendements plus élevés ont été trouvés dans les solutions deutérées. Les effets isotopiques révèlent la compétition entre deux réactions ultra-rapides : le transfert de protons vers H₂O (D₂O) et le transfert d'électrons de H₂O•⁺ (D₂O•⁺). Les simulations par la théorie de la densité fonctionnelle décryptent le mécanisme du transfert d’électrons : elles se font par migration de charge sub-femtoseconde et ne sont pas affectées par la substitution isotopique.

Picosecond pulse radiolysis measurements were performed in neat D₂O and D₂SO₄/D₂O system in order to study the isotopic effect on the reactivity of the solvated electron(es⁻), the hydroxyl radical (OH•) and its precursor—water cation radical (H₂O•⁺). In D₂O system, the molar absorption coefficient spectra of spectrum in D₂O was determined between 250 to 1500 nm using the isosbestic point method. Based on this extinction coefficient, the radiolytic yield of es⁻ in D₂O just after the 7 ps electron pulse was determined to be (4.4 ± 0.2) × 10⁻⁷ mol J⁻¹, which coincides with the one for in H₂O. The yield of the radical OD• just after the 7 ps electron pulse was found to be (5.0 ± 0.2) × 10⁻⁷ mol J⁻¹. In the spurs of ionization, the decay rate of es⁻ is slower in D₂O than that in H₂O, whereas the decay rate of OD• is similar to the one of OH•. In D₂SO₄/D₂O system, the reactivity of and D₂O•⁺ was probed in deuterated sulfuric acid solutions of various concentrations and compared with that of H2O•⁺. The oxidized solute sulfate radical was observed at 7 ps and remarkably higher yields are found in deuterated solutions. The isotopic effects reveal the competition between two ultrafast reactions: proton transfer toward H₂O (D₂O) and electron transfer from H₂SO4⁻ to H₂O•⁺ (D₂O•⁺). Density functional theory simulations decipher the electron transfer mechanism: it proceeds via sub-femtosecond charge migration and…

Advisors/Committee Members: Mostafavi, Mehran (thesis director).

Subjects/Keywords: Radiolyse d'impulsion picoseconde; Chimie des rayonnements; Eau lourde; Radical cationique de l'eau; Picosecond pulse radiolysis; Radiation chemistry; Heavy water; Water cation radical

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wang, F. (2018). Reactivity of the Solvated Electron, the Hydroxyl Radical and its Precursor in Deuterated Water Studied by Picosecond Pulse Radiolysis : Réactivité de l'électron solvaté, du radical hydroxyle et de son précurseur dans l'eau lourde, étudiée par la radiolyse pulsée picoseconde. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2018SACLS399

Chicago Manual of Style (16^th Edition):

Wang, Furong. “Reactivity of the Solvated Electron, the Hydroxyl Radical and its Precursor in Deuterated Water Studied by Picosecond Pulse Radiolysis : Réactivité de l'électron solvaté, du radical hydroxyle et de son précurseur dans l'eau lourde, étudiée par la radiolyse pulsée picoseconde.” 2018. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed January 24, 2021. http://www.theses.fr/2018SACLS399.

MLA Handbook (7^th Edition):

Wang, Furong. “Reactivity of the Solvated Electron, the Hydroxyl Radical and its Precursor in Deuterated Water Studied by Picosecond Pulse Radiolysis : Réactivité de l'électron solvaté, du radical hydroxyle et de son précurseur dans l'eau lourde, étudiée par la radiolyse pulsée picoseconde.” 2018. Web. 24 Jan 2021.

Vancouver:

Wang F. Reactivity of the Solvated Electron, the Hydroxyl Radical and its Precursor in Deuterated Water Studied by Picosecond Pulse Radiolysis : Réactivité de l'électron solvaté, du radical hydroxyle et de son précurseur dans l'eau lourde, étudiée par la radiolyse pulsée picoseconde. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2018. [cited 2021 Jan 24]. Available from: http://www.theses.fr/2018SACLS399.

Council of Science Editors:

Wang F. Reactivity of the Solvated Electron, the Hydroxyl Radical and its Precursor in Deuterated Water Studied by Picosecond Pulse Radiolysis : Réactivité de l'électron solvaté, du radical hydroxyle et de son précurseur dans l'eau lourde, étudiée par la radiolyse pulsée picoseconde. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2018. Available from: http://www.theses.fr/2018SACLS399

Virginia Tech

20. Hancock, Amber N. A Radical Approach to Syntheses and Mechanisms.

Degree: PhD, Chemistry, 2011, Virginia Tech

URL: http://hdl.handle.net/10919/77139

► The critically important nature of radical and radical ion mechanisms in biology and chemistry continues to be recognized as our understanding of these unique transient… (more)

▼ The critically important nature of radical and radical ion mechanisms in biology and chemistry continues to be recognized as our understanding of these unique transient species grows. The work presented herein demonstrates the versatility of kinetic studies for understanding the elementary chemical reactions of radicals and radical ions. Chapter 2 discusses the use of direct ultrafast kinetics techniques for investigation of crucially important enzymatic systems; while Chapter 3 demonstrates the value of indirect competition kinetics techniques for development of synthetic methodologies for commercially valuable classes of compounds. The mechanism of decay for aminyl radical cations has received considerable attention because of their suspected role as intermediates in the oxidation of tertiary amines by monoamine oxygenases and the cytochrome P450 family of enzymes. Radical cations are believed to undergo deprotonation as a key step in catalysis. KIE studies performed by previous researchers indicate N,N-dimethylaniline radical cations deprotonate in the presence of the bases acetate and pyridine. By studying the electrochemical kinetics of the reaction of para substituted N,N-dimethylaniline radical cations with acetate anion, we have produced compelling evidence to the contrary. Rather than deprotonation, acetate reacts with N,N-dimethylaniline radical cation by electron transfer, generating the neutral amine and acetoxyl radical. Transport properties of reactants and solvent polarity changes were investigated and confirmed not to influence the electrochemical behavior forming the basis for our mechanistic hypothesis. To reconcile our conclusion with earlier results, KIEs were reinvestigated electrochemically and by nanosecond laser flash photolysis. Rather than a primary isotope effect (associated with C-H bond cleavage), we believe the observed KIEs are secondary, and can be rationalized on the basis of a quantum effect due to hyperconjugative stabilization in aromatic radical cations during an electron transfer reaction. Product studies performed by constant potential coulometry indicate N,N-dimethylaniline radical cations are catalytic in carboxylate oxidations. Collectively, our results suggest that aminyl radical cation deprotonations may not be as facile as was previously thought, and that in some cases, may not occur at all. Interest in design and synthesis of selenium containing heterocycles stems from their ability to function as antioxidants, anti-virals, anti-inflammatories, and immunomodulators. To establish synthetic feasibility of intramolecular homolytic substitution at selenium for preparation of selenocycles, we set out to determine what factors influence cyclization kinetics. A series of photochemically labile Barton and Kim esters have been syntheisized and employed as radical precursors. The effect of leaving radical stability on kinetics has been investigated through determination of rate constants and activation parameters for intramolecular homolytic substitution of the corresponding… Advisors/Committee Members: Tanko, James M. (committeechair), Marand, Hervé L. (committee member), Marand, Hervé L. (committee member), Long, Timothy E. (committee member), Madsen, Louis A. (committee member), Troya, Diego (committee member).

Subjects/Keywords: Carboxylate; Deprotonation; Electron Transfer; Radical Cyclization; Homolytic Substitution; Selenium; Radical Trap; Rate Constant; Deuterium Isotope Effect; Arrhenius Parameter; N; Mechanism; Kinetics; Cyclic Voltammetry; Constant Potential Coulometry; Competition Kinetics.; Amine Radical Cation; N-dimethylaniline; Digital Simulations; Laser Flash Photolysis

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Hancock, A. N. (2011). A Radical Approach to Syntheses and Mechanisms. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/77139

Chicago Manual of Style (16^th Edition):

Hancock, Amber N. “A Radical Approach to Syntheses and Mechanisms.” 2011. Doctoral Dissertation, Virginia Tech. Accessed January 24, 2021. http://hdl.handle.net/10919/77139.

MLA Handbook (7^th Edition):

Hancock, Amber N. “A Radical Approach to Syntheses and Mechanisms.” 2011. Web. 24 Jan 2021.

Vancouver:

Hancock AN. A Radical Approach to Syntheses and Mechanisms. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10919/77139.

Council of Science Editors:

Hancock AN. A Radical Approach to Syntheses and Mechanisms. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/77139

University of Rochester

21. Klubek, Kevin P. Investigation of blue phosphorescent organic light-emitting diode instability.

Degree: PhD, 2014, University of Rochester

URL: http://hdl.handle.net/1802/28841

► Phosphorescent emitters have played a critical role in the advance of organic light-emitting diode (OLED) technology. Among the phosphorescent emitters, the cyclometalated complexes with iridium… (more)

▼ Phosphorescent emitters have played a critical role in the advance of organic light-emitting diode (OLED) technology. Among the phosphorescent emitters, the cyclometalated complexes with iridium (III) as the central atom are the most well developed and successfully commercialized. They are also among the most efficient. With chelating ligands specifically designed for color tuning, RGB (red, green and blue) emitters with nearly 100% (internal) quantum efficiency, defined as photons generated per injected electron, have been demonstrated. The operating lifetime of the phosphorescent OLED devices, however, remains an issue, particularly for the blue devices. </br> This thesis focuses on two phosphorescent blue dopants based on iridium; bis(4,6-difluorophenyl-pyridinato-N,C2) picolinate iridium (III) (FIrpic), and tris[1-(2,6-diisopropylphenyl)-2-phenyl-1H-imidazole] iridium (III) (Ir(iprpmi)₃). FIrpic is perhaps the most well-known blue phosphorescent dopant that has demonstrated high quantum efficiency, but it has been found to produce short operational lifetimes. Ir(iprpmi)₃ was chosen for this study because there were claims in patent literature that it provides excellent stability in OLED devices. </br> Using FIrpic as the blue dopant in the emitter layer, we have investigated the dependence of OLED performance, including device lifetime, on the compositions of the emitter layer (host-dopant) and the adjacent electron/hole transport layers. Regardless of the choice of the host materials in the emitter layer, or the materials in the transport layers, it is shown that the stability of OLED devices is poor (<12 hours) for devices using FIrpic as the blue phosphorescent dopant. Recombination that occurs on the host or transport materials is also found to be detrimental to device lifetime. </br> By tracking voltage and efficiency during operation for model devices with well known tris(8-hydroxyquinolinato) aluminum (Alq) as the emitter, it is shown that in addition to its instability in charge recombination processes, FIrpic is also unstable with respect to hole-transport processes. This indicates that the FIrpic radical cation itself is unstable. It is also found that the host 3,3'-bis(N-carbazolyl)biphenyl (mCBP) is unstable to electron-hole recombination processes. </br> The photophysical properties of Ir(iprpmi)₃ were studied. This material has a low ionization potential of 4.8 eV, which is indicative of a material possessing strong electron donor characteristics. Electron donating materials are typically associated with hole injecting or hole transporting materials. By adjusting the concentration of Ir(iprpmi)₃ within the host mCBP, we show that Ir(iprpmi)₃ is capable of trapping (at low concentration) and transporting (at high concentration) holes. In this way, the location of the recombination zone (RZ) is modulated. At low concentrations the RZ is confined near the hole-transport layer whereas at high concentration the RZ is shifted…

Subjects/Keywords: Blue phosphorescent materials; Degradation mechanism; Iridium complex; Lifetime study; OLED; organic light-emitting diode; Hole transport; Blue emission; Radical cation; Phosphorescent emitter

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Klubek, K. P. (2014). Investigation of blue phosphorescent organic light-emitting diode instability. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/28841

Chicago Manual of Style (16^th Edition):

Klubek, Kevin P. “Investigation of blue phosphorescent organic light-emitting diode instability.” 2014. Doctoral Dissertation, University of Rochester. Accessed January 24, 2021. http://hdl.handle.net/1802/28841.

MLA Handbook (7^th Edition):

Klubek, Kevin P. “Investigation of blue phosphorescent organic light-emitting diode instability.” 2014. Web. 24 Jan 2021.

Vancouver:

Klubek KP. Investigation of blue phosphorescent organic light-emitting diode instability. [Internet] [Doctoral dissertation]. University of Rochester; 2014. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/1802/28841.

Council of Science Editors:

Klubek KP. Investigation of blue phosphorescent organic light-emitting diode instability. [Doctoral Dissertation]. University of Rochester; 2014. Available from: http://hdl.handle.net/1802/28841

York University

22. Wu, Bai-Han Backen. Isomerization and Fragmentation of [b5]+ IONS AND [b5 H]+ Radical Cations in the Gas Phase.

Degree: MSc -MS, Chemistry, 2018, York University

URL: http://hdl.handle.net/10315/34241

► In this thesis, we examined the CID spectra of the closed-shell [A4W-Me oxa + H]+ ions, which are completely identical, and indicates sequence scrambling. There… (more)

Subjects/Keywords: Physical chemistry; Collision-induced dissociation; Sequence scrambling; Macrocyclization; Effect of α-methyl on dissociation pathways; Density Functional calculations; CID; Radical cation; α-methyltryptophan; -methyltryptophan

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wu, B. B. (2018). Isomerization and Fragmentation of [b5]+ IONS AND [b5 H]+ Radical Cations in the Gas Phase. (Masters Thesis). York University. Retrieved from http://hdl.handle.net/10315/34241

Chicago Manual of Style (16^th Edition):

Wu, Bai-Han Backen. “Isomerization and Fragmentation of [b5]+ IONS AND [b5 H]+ Radical Cations in the Gas Phase.” 2018. Masters Thesis, York University. Accessed January 24, 2021. http://hdl.handle.net/10315/34241.

MLA Handbook (7^th Edition):

Wu, Bai-Han Backen. “Isomerization and Fragmentation of [b5]+ IONS AND [b5 H]+ Radical Cations in the Gas Phase.” 2018. Web. 24 Jan 2021.

Vancouver:

Wu BB. Isomerization and Fragmentation of [b5]+ IONS AND [b5 H]+ Radical Cations in the Gas Phase. [Internet] [Masters thesis]. York University; 2018. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10315/34241.

Council of Science Editors:

Wu BB. Isomerization and Fragmentation of [b5]+ IONS AND [b5 H]+ Radical Cations in the Gas Phase. [Masters Thesis]. York University; 2018. Available from: http://hdl.handle.net/10315/34241

University of Georgia

23. Wannere, Chaitanya Shridhar. Structures, energetics, and magnetic property evaluations using density functional theory.

Degree: 2014, University of Georgia

URL: http://hdl.handle.net/10724/21397

► I have applied density functional theory (DFT) to various problems in organic and inorganic chemistry. The use of various DFT levels has rigorously been tested… (more)

▼ I have applied density functional theory (DFT) to various problems in organic and inorganic chemistry. The use of various DFT levels has rigorously been tested to assess the reliability of these methods to accurately compute structures and energies. The B3LYP DFT theory with a reasonably large basis sets is sufficiently accurate. In few cases, however, B3LYP leads to serious errors in predicting the ground state structures. Work employing the B3LYP method to investigate the reaction of phosphaethene with 1,3-dienes revealed that the structures of the reactants and products and their energies were sufficiently accurate to explain the experimental regioselectivites. Additionally the B3LYP method also accurately reproduce the 1H NMR chemical shifts. In the study regarding the stability of [4n]annulenes (antiaromatic hydrocarbons), the use of an appropriate isodesmic equation can give B3LYP stabilization energies which are in excellent agreement with those given by other methods. In these cases, results from B3LYP-DFT were sufficiently accurate and reliable. Computationally challenging for all the DFT methods was the prediction of structures and energies of [4n+2]annulenes. The widely accepted X-ray and B3LYP indicated CC bond equalized structures of [14]-, [18]-, and [22]annulenes are found to be incorrect since the computed proton chemical shifts using these geometries gave ä 1Hs which are in gross disagreement with the experimental values. Instead lower symmetry structures with CC bond alternation are given by KMLYP and BHLYP DFT methods. These lower symmetry structures are found to be more stable, as also confirmed by the CCSD(T) method, and give proton chemical shifts in excellent agreement with experimental values. Our application of the B3LYP level to various problems indicates that this method, in general, is reliable for computing accurate structures and energies. However, in a few cases caution is indicated when applying the B3LYP method, this study suggests that the KMLYP is capable of predicting structures more reliably than the B3LYP method. We also propose that data sets containing aromatic annulenes (larger than benzene) could serve as the basis for developing even better hybridizations of density functional and other methods.

Subjects/Keywords: Density Functional Theory; Diels-Alder Reaction; Radical Cation Mechanism; Nucleus Independent Chemical Shifts (NICS); Magnetic Susceptibilities; 1H NMR Chemical Shifts; Aromaticity; Antiaromaticity; Nonclassical Carbocations

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wannere, C. S. (2014). Structures, energetics, and magnetic property evaluations using density functional theory. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/21397

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Wannere, Chaitanya Shridhar. “Structures, energetics, and magnetic property evaluations using density functional theory.” 2014. Thesis, University of Georgia. Accessed January 24, 2021. http://hdl.handle.net/10724/21397.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Wannere, Chaitanya Shridhar. “Structures, energetics, and magnetic property evaluations using density functional theory.” 2014. Web. 24 Jan 2021.

Vancouver:

Wannere CS. Structures, energetics, and magnetic property evaluations using density functional theory. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10724/21397.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Wannere CS. Structures, energetics, and magnetic property evaluations using density functional theory. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/21397

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

24. Hernandez-Alvarado, Edgardo Manuel. Synthesis Of Porphyrin Containing Molecular Dyads For Radical-Cation Generation .

Degree: 2014, University of Arizona

URL: http://hdl.handle.net/10150/338955

► The overall efficiency of photovoltaics is dictated by processes occurring within it. These processes include exciton formation, diffusion, dissociation and charge collection. This dissertation will… (more)

▼ The overall efficiency of photovoltaics is dictated by processes occurring within it. These processes include exciton formation, diffusion, dissociation and charge collection. This dissertation will focus around the fundamental issue of charge collection. In organic photovoltaics (OPVs) the rate of charge injection is dominated by the interaction between dissimilar materials, usually organic compound interacting with inorganic ones. In order to improve this rate of injection and, by direct consequence the efficiency of this process, fundamental knowledge of this organic-inorganic interface must be gained. In this work the focus will reside solely on creating molecules capable of probing the interface between the indium tin oxide (ITO) and the donor layer. At this interface, the usual charge transfer being transferred is the hole. Chapters 2 and 3 detail the synthesis and photophysical characterization of porphyrin-perylene diimide (Por-PDI) and porphyrin-fullerene (Por-C₆₀) molecular dyads. The idea behind these moieties is that covalent attachment of these species to ITO should lead to a robust ohmic contact. Since these molecular dyads are capable of producing charge-separated states after photoexcitation, they should have the capacity to produce a radical-cation in close proximity to the ITO. This will translate to a capacity for probing the dynamics of the hole injection at this interface. Studies performed demonstrate that in fact these dyads are capable of producing a charge-separated state upon photo-excitation. The lifetimes of these states were determine to be 35 ps and 3 ns for the Por-PDI and Por-C₆₀ respectively. Chapter 4 takes a different turn. It is focused on the application and extension of a solvent-free synthesis of metallated phthalocyanines (Pcs). Shown in chapter 4 is the synthesis of a series of metallated Pcs using various transition metals and group 3 elements. Photophysical and electrochemical investigation of these materials shows that they have near-infrared absorption and relative high HOMO levels making them potential candidates for OPV applications. In addition, they displayed non-linear optical behavior due to their highly polarizable pi-systems and the presence of axial susbtituents. Finally Chapter 5 describes the synthesis and characterization of porphyrin possessing rigid linkers. This chapter also shows the further directions in which the various ideas presented in this work could be driven. Advisors/Committee Members: McGrath, Dominic V (advisor), McGrath, Dominic V. (committeemember), Mash, Eugene A. (committeemember), Glass, Richard (committeemember), Monti, Oliver (committeemember).

Subjects/Keywords: optical limiting; Porphyrin radical cation; reverse saturable absorber; Solvent-less phthalocyanine synthesis; Molecular Dyads; Chemistry

…PORPHYRIN RADICAL-CATION FOR DARK ELECTRON TRANSFER MEASUREMENTS AND CONDENSED-PHASE… …the capacity to produce a radical-cation in close proximity to the ITO. This will translate… …generated porphyrin-radical cation and perylene diimide-radical anion. The consequence of the high… …ground state radical-anion (acceptor) and ground state radical-cation (donor… …photogenerate a charge separated state that will resemble a ground state radical-cation in close…

11 more images…

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Hernandez-Alvarado, E. M. (2014). Synthesis Of Porphyrin Containing Molecular Dyads For Radical-Cation Generation . (Doctoral Dissertation). University of Arizona. Retrieved from http://hdl.handle.net/10150/338955

Chicago Manual of Style (16^th Edition):

Hernandez-Alvarado, Edgardo Manuel. “Synthesis Of Porphyrin Containing Molecular Dyads For Radical-Cation Generation .” 2014. Doctoral Dissertation, University of Arizona. Accessed January 24, 2021. http://hdl.handle.net/10150/338955.

MLA Handbook (7^th Edition):

Hernandez-Alvarado, Edgardo Manuel. “Synthesis Of Porphyrin Containing Molecular Dyads For Radical-Cation Generation .” 2014. Web. 24 Jan 2021.

Vancouver:

Hernandez-Alvarado EM. Synthesis Of Porphyrin Containing Molecular Dyads For Radical-Cation Generation . [Internet] [Doctoral dissertation]. University of Arizona; 2014. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10150/338955.

Council of Science Editors:

Hernandez-Alvarado EM. Synthesis Of Porphyrin Containing Molecular Dyads For Radical-Cation Generation . [Doctoral Dissertation]. University of Arizona; 2014. Available from: http://hdl.handle.net/10150/338955

Penn State University

25. Saleh, Lana. Oxygen Activation and Electron Transfer in Class I Ribonucleotide Reductase.

Degree: 2008, Penn State University

URL: https://submit-etda.libraries.psu.edu/catalog/6739

► Activation of oxygen at the carboxylate-bridged diiron cluster of ribonucleotide reductase (RNR) protein R2 from Escherichia coli leads to the formation of the catalytically essential… (more)

▼ Activation of oxygen at the carboxylate-bridged diiron cluster of ribonucleotide reductase (RNR) protein R2 from Escherichia coli leads to the formation of the catalytically essential tyrosyl radical by one-electron oxidation of tyrosine 122. The Y122 radical (Y122•) generates, by electron transfer over a remarkably long distance, a cysteinyl radical in its partner subunit, R1. The cysteinyl radical (C439•) initiates the catalytic reaction by removal of a hydrogen atom from the substrate. The long-distance R1 – >R2 electron transfer step seems to be mediated by 5 amino acids in R2 and two others in R1, but the mechanism of this remarkable process is not well understood. The mechanism of Y122• formation involves transient oxidation of a near-surface residue tryptophan 48 (W48) by a kinetically masked diiron(II)-O2 adduct. This step produces an intermediate state containing W48 cation radical (W48+•) and the formally Fe2(III/IV) cluster X. The last step of the reaction is the slow oxidation of Y122 by X to produce the catalytically essential Y122•. Oxygen activation by R2 is mechanistically similar to oxidation reactions catalyzed by other members of the diiron-carboxylate family of oxidases and oxygenases, most notably methane monooxygenase hydroxylase (MMOH) and stearoyl acyl carrier protein Δ-9 desaturase. R2 and MMOH share similar tertiary structures and contain almost indistinguishable diiron clusters. Despite these similarities, the outcomes of their reactions with O2 are quite different: alkane hydroxylation in MMOH and formation of a stable tyrosyl radical by one-electron oxidation of Y122 in R2. Two intermediates, P and Q, have been detected in the MMOH reaction and are thought to have µ-[1, 2- peroxo]diiron(III) and bis-µ-[oxo]diiron(IV) structures, respectively. In the R2 reaction, only X has been unequivocally demonstrated, because the one-electron-more-oxidized precursor to X undergoes rapid reduction by the indole sidechain of W48. Identification of the precursor to X has been a challenging yet crucial step in understanding the mechanism of oxygen activation by R2. This task has been adopted by several investigators in the field who proposed that the subtle differences in coordination that are observed in these two proteins are of secondary functional significance, and that both proteins direct reactions that begin with one or more common intermediate down divergent mechanistic pathways. In Chapter 3, we have achieved the long-sought goal of characterizing this species by application of chemical, kinetic, and spectroscopic methods, including protein mutagenesis combined with chemical rescue (Chapter 2), and stopped-flow absorption and rapid freeze-quench electron paramagnetic resonance (EPR) and Mössbauer spectroscopies. In this chapter, evidence that the “kinetically masked” intermediate in the reaction of R2 has a geometry and electronic structure distinct from those of intermediates P and Q of MMOH is presented. The results show that the state, trapped in the reaction of the variant… Advisors/Committee Members: Joseph M Bollinger Jr., Committee Chair/Co-Chair, Carsten Krebs, Committee Member, Squire J Booker, Committee Member, John H Golbeck, Committee Member, Sharon Hammes Schiffer, Committee Member.

Subjects/Keywords: R2; chlamydia trachomatis; W48; tryptophan cation radical; precursor to X; Y356; electron injection; Mg2+; class Ic

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APA (6^th Edition):

Saleh, L. (2008). Oxygen Activation and Electron Transfer in Class I Ribonucleotide Reductase. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/6739

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Saleh, Lana. “Oxygen Activation and Electron Transfer in Class I Ribonucleotide Reductase.” 2008. Thesis, Penn State University. Accessed January 24, 2021. https://submit-etda.libraries.psu.edu/catalog/6739.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Saleh, Lana. “Oxygen Activation and Electron Transfer in Class I Ribonucleotide Reductase.” 2008. Web. 24 Jan 2021.

Vancouver:

Saleh L. Oxygen Activation and Electron Transfer in Class I Ribonucleotide Reductase. [Internet] [Thesis]. Penn State University; 2008. [cited 2021 Jan 24]. Available from: https://submit-etda.libraries.psu.edu/catalog/6739.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Saleh L. Oxygen Activation and Electron Transfer in Class I Ribonucleotide Reductase. [Thesis]. Penn State University; 2008. Available from: https://submit-etda.libraries.psu.edu/catalog/6739

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

York University

26. Wang, Yating. Fragmentation of Lanthanide (III) Cationized Small Peptides: Generation of Peptide Radical Cations and Dipositive a and b ions.

Degree: PhD, Chemistry, 2018, York University

URL: http://hdl.handle.net/10315/34980

► This research work examines the dissociation chemistry of tripositive complexes formed by trivalent lanthanide ions and small peptides with tandem mass spectrometry under low-energy collision-induced… (more)

▼ This research work examines the dissociation chemistry of tripositive complexes formed by trivalent lanthanide ions and small peptides with tandem mass spectrometry under low-energy collision-induced dissociation (CID). By fragmentation of the tripositive lanthanide(III) cationized small peptide, a new route to generate peptide radical cations has been discovered. The dipositive b ions are also observed and the mechanisms by which they fragment are investigated by MSn. Tripositive complexes of lanthanide(III)/peptide have similar fragmentation chemistries in the gas phase when lanthanide = yttrium, lanthanum, cerium, samarium, gadolinium and terbium; [a3+H]2+ ions are formed and there are no peptide radical cations observed. When the lanthanide is europium(III), radical cations of tryptophan-, tyrosine-, phenylalanine-, methionine-containing peptides and of aliphatic peptides have been generated. Fragmentations of tripositive Ce(III)/peptide and Eu(III)/peptide complexes show very different behaviours. Abundant CO loss is only observed for dissociation of Ce(III)/peptide complexes, whereas CO2 loss is the predominant channel for Eu(III)/peptide complexes. Similarly, CO loss and CO2 loss are the predominant channels for the dissociations of [Ce(peptide-H)]2+ and [Eu(peptide-H)]2+, respectively. Peptide radical cations are only generated by the fragmentation of Eu(III)/peptide complexes, while protonated a and b ions are only observed when Ce(III)/peptide complexes dissociate. The dissociations of aliphatic [peptide]+ions generate [b3-H]+/ [b2-H]+ions for most peptides. In the dissociation of [a3+H]+ions, [b2-H]+ions are formed from most peptides. [a3+H]2+ ions usually cleave at the C-terminal amide bonds, creating two singly charged ions, a [b2]+ ion and an iminium ion derived from the C-terminal residue. Some [a3+H]2+ ions also lose small neutral molecules. The composition of the peptides dictates the preferred mode of the fragmentation of [b3+H]2+ ions, either loss of CO to form [a3+H]2+, or loss of CO plus H2O. Fragmentations of [Ce(peptide-H)]2+ ions show CO loss, and CO2 losses are observed for peptides with aromatic side chains or a methionine residue at C-terminus. For [Ce(peptide-H)(peptide)]2+ complexes, neutral losses are also observed but formation of two singly charged ions is dominant. The dissociation behaviour of [Ce(peptide-H)(CH3CN)]2+ and [Eu(peptide-H)(CH3CN)]2+ complexes are quite different. The former loses only CH3CN whereas the latter loses only CO2. Advisors/Committee Members: Siu, K.W. Michael (advisor).

Subjects/Keywords: Analytical chemistry; Tandem Mass Spectrometry; CID; MSn; Electrospray Ionization; Fragmentation; Metal/Peptide Complex; Lanthanide; Europium; Cerium; Trivalent Metal Ion; Small Peptide; Radical Cation; New Route; Dipositive b ion; Dipositive a ion; Tripositive Complex; Dipositive Complex; Aromatic Peptide; Aliphatic Peptide; Proline-containing Peptide

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APA (6^th Edition):

Wang, Y. (2018). Fragmentation of Lanthanide (III) Cationized Small Peptides: Generation of Peptide Radical Cations and Dipositive a and b ions. (Doctoral Dissertation). York University. Retrieved from http://hdl.handle.net/10315/34980

Chicago Manual of Style (16^th Edition):

Wang, Yating. “Fragmentation of Lanthanide (III) Cationized Small Peptides: Generation of Peptide Radical Cations and Dipositive a and b ions.” 2018. Doctoral Dissertation, York University. Accessed January 24, 2021. http://hdl.handle.net/10315/34980.

MLA Handbook (7^th Edition):

Wang, Yating. “Fragmentation of Lanthanide (III) Cationized Small Peptides: Generation of Peptide Radical Cations and Dipositive a and b ions.” 2018. Web. 24 Jan 2021.

Vancouver:

Wang Y. Fragmentation of Lanthanide (III) Cationized Small Peptides: Generation of Peptide Radical Cations and Dipositive a and b ions. [Internet] [Doctoral dissertation]. York University; 2018. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10315/34980.

Council of Science Editors:

Wang Y. Fragmentation of Lanthanide (III) Cationized Small Peptides: Generation of Peptide Radical Cations and Dipositive a and b ions. [Doctoral Dissertation]. York University; 2018. Available from: http://hdl.handle.net/10315/34980

Georgia Tech

27. Das, Prolay. Long-Range Charge Transfer in Plasmid DNA Condensates and DNA-Directed Assembly of Conducting Polymers.

Degree: PhD, Chemistry and Biochemistry, 2007, Georgia Tech

URL: http://hdl.handle.net/1853/19856

► Long-distance radical cation transport was studied in DNA condensates where linearized pUC19 plasmid was ligated to an oligomer and transformed into DNA condensates with spermidine.… (more)

▼ Long-distance radical cation transport was studied in DNA condensates where linearized pUC19 plasmid was ligated to an oligomer and transformed into DNA condensates with spermidine. DNA condensates were detected by Dynamic Light Scattering and observed by Transmission Electron Microscopy. Introduction of charge into the condensates causes long-distance charge migration, which is detected by reaction at the remote guanines. The efficiency of charge migration in the condensate is significantly less than it is for the corresponding oligomer in solution. This result is attributed to a lower mobility for the migrating radical cation in the condensate, caused by inhibited formation of charge-transfer-effective states. Radical cation transport was also studied in DNA condensates made from an oligomer sandwiched between two linearized plasmids by double ligation. Unlike the single ligated plasmid condensates, the efficiency of charge migration in the double ligated plasmid-condensates is high, indicative of local structural and conformational transformation of the DNA duplexes. Organic monomer units having extended ð-conjugation as part of a long conducting polymer was synthesized and characterized. The monomer units were covalently attached to particular positions in DNA oligonucleotides by either the convertible nucleotide approach or by phosphoramidite chemistry. Successful attachment of the monomer units to DNA were confirmed by mass spectral analysis. The DNA-conjoined monomer units can self assemble in the presence of complementary sequences which act as templates that can control polymer formation and structure. By this method the para-direction of the polymer formation can be enforced and may be used to generate materials having nonrecurring, irregular structures. Advisors/Committee Members: Dr. Gary B. Schuster (Committee Chair), Dr. David M. Collard (Committee Member), Dr. Donald Doyle (Committee Member), Dr. Marcus Weck (Committee Member), Dr. Uzi Landman (Committee Member).

Subjects/Keywords: DNA charge transfer; Conducting polymers; Radical cation; Self assembly; Conducting polymers; Charge tranfer in biology; Cations; DNA; Self-organizing systems

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APA (6^th Edition):

Das, P. (2007). Long-Range Charge Transfer in Plasmid DNA Condensates and DNA-Directed Assembly of Conducting Polymers. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/19856

Chicago Manual of Style (16^th Edition):

Das, Prolay. “Long-Range Charge Transfer in Plasmid DNA Condensates and DNA-Directed Assembly of Conducting Polymers.” 2007. Doctoral Dissertation, Georgia Tech. Accessed January 24, 2021. http://hdl.handle.net/1853/19856.

MLA Handbook (7^th Edition):

Das, Prolay. “Long-Range Charge Transfer in Plasmid DNA Condensates and DNA-Directed Assembly of Conducting Polymers.” 2007. Web. 24 Jan 2021.

Vancouver:

Das P. Long-Range Charge Transfer in Plasmid DNA Condensates and DNA-Directed Assembly of Conducting Polymers. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/1853/19856.

Council of Science Editors:

Das P. Long-Range Charge Transfer in Plasmid DNA Condensates and DNA-Directed Assembly of Conducting Polymers. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/19856

Georgia Tech

28. Schlientz, Nathan William. Charge Migration through Duplex DNA: A Study of the Mechanism for Charge Migration and Oxidative Damage.

Degree: PhD, Chemistry and Biochemistry, 2006, Georgia Tech

URL: http://hdl.handle.net/1853/11484

► DNA sequences containing contiguous AA or TT mismatches, as well as sequences containing a 3-deazacytidine analogue were synthesized. Irradiation of anthraquinone abstracts an electron from… (more)

Subjects/Keywords: Radical cation; Charge transfer; Deazacytidine; DNA; Oxidative damage; Charge migration; DNA; Charge transfer; Cations

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Schlientz, N. W. (2006). Charge Migration through Duplex DNA: A Study of the Mechanism for Charge Migration and Oxidative Damage. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/11484

Chicago Manual of Style (16^th Edition):

Schlientz, Nathan William. “Charge Migration through Duplex DNA: A Study of the Mechanism for Charge Migration and Oxidative Damage.” 2006. Doctoral Dissertation, Georgia Tech. Accessed January 24, 2021. http://hdl.handle.net/1853/11484.

MLA Handbook (7^th Edition):

Schlientz, Nathan William. “Charge Migration through Duplex DNA: A Study of the Mechanism for Charge Migration and Oxidative Damage.” 2006. Web. 24 Jan 2021.

Vancouver:

Schlientz NW. Charge Migration through Duplex DNA: A Study of the Mechanism for Charge Migration and Oxidative Damage. [Internet] [Doctoral dissertation]. Georgia Tech; 2006. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/1853/11484.

Council of Science Editors:

Schlientz NW. Charge Migration through Duplex DNA: A Study of the Mechanism for Charge Migration and Oxidative Damage. [Doctoral Dissertation]. Georgia Tech; 2006. Available from: http://hdl.handle.net/1853/11484

Virginia Tech

29. Wang, Yonghui. The Chemistry of Cyclopropylarene Radical Cations.

Degree: PhD, Chemistry, 1997, Virginia Tech

URL: http://hdl.handle.net/10919/29818

► Cyclopropane derivatives are frequently utilized as "probes" for radical cation intermediates in a number of important chemical and biochemical oxidation. The implicit assumption in such… (more)

▼ Cyclopropane derivatives are frequently utilized as "probes" for radical cation intermediates in a number of important chemical and biochemical oxidation. The implicit assumption in such studies is that if a radical cation is produced, it will undergo ring opening. Through a detailed examination of follow-up chemistry of electrochemically and chemically generated cyclopropylarene radical cations, we have shown that the assumption made in the use of these substrates as SET probes is not necessarily valid. While cyclopropylbenzene radical cation undergoes rapid methanol-induced ring opening (e.g., k = 8.9 E7 s-1M-1), the radical cations generated from 9-cyclopropylanthracenes do not undergo cyclopropane ring opening at all. The radical cations generated from cyclopropylnaphthalenes disproportionate or dimerize before undergoing ring opening. Utilizing cyclic, derivative cyclic, and linear sweep voltammetry, it was discovered that decay of radical cations generated from cyclopropylnaphthalenes in CH3CN/CH3OH is second order in radical cation and zero order in methanol. Anodic and Ce(IV) oxidation of all these naphthyl substrates in CH3CN/CH3OH led to cyclopropane ring-opened products. However, the rate constant for methanol-induced ring opening (Ar-c-C3H5+. + CH3OH -> ArCH(.)CH2CH2O(H+)CH3) is extremely small for 1-cyclopropylnaphthalenes) despite the fact that ring opening is exothermic by nearly 30 kcal/mol. These results are explained on the basis of a product-like transition state for ring opening wherein the positive charge is localized on the cyclopropyl group, and thus unable to benefit from potential stabilization offered by the aromatic ring. Reactions of radical cations generated from 9-cyclopropylanthracenes in CH3CN/CH3CN have also been investigated electrochemically. The major products arising from oxidation of these anthryl substrates are attributable to CH3OH attack at the aromatic ring rather than CH3OH-induced cyclopropane ring opening. Ce(IV) oxidation of 9-cyclopropyl-10-methylanthracene and 9,10-dimethylanthracene further showed that radical cations generated from these anthryl substrates undergo neither cyclopropane ring opening nor deprotonation but nucleophilic addition. Side-chain oxidation products from Ce(IV) oxidation of methylated anthracenes arose from further reaction of nuclear oxidation products under acidic and higher temperature conditions. An analogous (more product-like) transition state picture can be applied for cyclopropane ring opening and deprotonation of these anthryl radical cations. Because of much higher intrinsic barrier to either nucleophile-induced cyclopropane ring opening or deprotonation of these anthryl radical cations, nucleophilic addition predominates. Stereoelectronic effects may be another additional factor contributing to this intrinsic barrier because the cyclopropyl group in these … Advisors/Committee Members: Tanko, James M. (committeechair), Castagnoli, Neal Jr. (committee member), Gandour, Richard D. (committee member), Kingston, David G. I. (committee member), Anderson, Mark R. (committee member).

Subjects/Keywords: Radical Cation; Cyclopropylarene; Reaction Mechanism and Kinetics; Voltammetry; Ce(IV) Oxidation; Anodic Oxidation; Deprotonation; Ring Opening

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wang, Y. (1997). The Chemistry of Cyclopropylarene Radical Cations. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/29818

Chicago Manual of Style (16^th Edition):

Wang, Yonghui. “The Chemistry of Cyclopropylarene Radical Cations.” 1997. Doctoral Dissertation, Virginia Tech. Accessed January 24, 2021. http://hdl.handle.net/10919/29818.

MLA Handbook (7^th Edition):

Wang, Yonghui. “The Chemistry of Cyclopropylarene Radical Cations.” 1997. Web. 24 Jan 2021.

Vancouver:

Wang Y. The Chemistry of Cyclopropylarene Radical Cations. [Internet] [Doctoral dissertation]. Virginia Tech; 1997. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10919/29818.

Council of Science Editors:

Wang Y. The Chemistry of Cyclopropylarene Radical Cations. [Doctoral Dissertation]. Virginia Tech; 1997. Available from: http://hdl.handle.net/10919/29818

30. ΛΑΓΟΥΒΑΡΔΟΣ, ΔΗΜΗΤΡΙΟΣ. ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ ΠΟΥ ΒΑΣΙΖΟΝΤΑΙ ΣΕ ΕΤΕΡΟΚΥΚΛΙΚΕΣ ΕΝΩΣΕΙΣ ΜΕ ΟΞΥΓΟΝΟ, ΘΕΙΟ, ΣΕΛΗΝΙΟ ΚΑΙ ΑΖΩΤΟ.

Degree: 1994, Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); National and Kapodistrian University of Athens

URL: http://hdl.handle.net/10442/hedi/3195

►

ΣΤΗΝ ΔΙΑΤΡΙΒΗ ΑΝΑΦΕΡΕΤΑΙ Η ΠΑΡΑΣΚΕΥΗ ΤΡΙΩΝ ΚΑΤΗΓΟΡΙΩΝ ΝΕΩΝ Π-ΔΟΤΩΝ, ΠΑΡΑΓΩΓΩΝ ΤΟΥ TTF1 ΚΑΘΩΣ ΚΑΙ Η ΠΑΡΑΣΚΕΥΗ ΚΑΙ ΜΕΛΕΤΗ ΤΩΝ ΡΙΖΙΚΩΝ ΑΛΑΤΩΝ ΤΟΥΣ. Η ΠΡΩΤΗ ΚΑΤΗΓΟΡΙΑ… (more)

▼

ΣΤΗΝ ΔΙΑΤΡΙΒΗ ΑΝΑΦΕΡΕΤΑΙ Η ΠΑΡΑΣΚΕΥΗ ΤΡΙΩΝ ΚΑΤΗΓΟΡΙΩΝ ΝΕΩΝ Π-ΔΟΤΩΝ, ΠΑΡΑΓΩΓΩΝ ΤΟΥ TTF1 ΚΑΘΩΣ ΚΑΙ Η ΠΑΡΑΣΚΕΥΗ ΚΑΙ ΜΕΛΕΤΗ ΤΩΝ ΡΙΖΙΚΩΝ ΑΛΑΤΩΝ ΤΟΥΣ. Η ΠΡΩΤΗ ΚΑΤΗΓΟΡΙΑ ΕΙΝΑΙ ΔΟΤΕΣ ΜΕ ΜΙΑ ΑΙΘΥΛΕΝΟΔΙΟΞΥ-ΟΜΑΔΑ. ΠΟΛΛΑ ΡΙΖΙΚΑ ΑΛΑΤΑ ΑΥΤΩΝ ΤΩΝ ΔΟΤΩΝ ΚΡΥΣΤΑΛΛΩΝΟΝΤΑΙ ΣΕ ΜΙΑ ΝΕΑ ΔΟΜΙΚΗ ΜΟΡΦΗ ΠΟΥ ΟΝΟΜΑΣΤΗΚΕ R-ΜΟΡΦΗ. Η ΔΕΥΤΕΡΗ ΚΑΤΗΓΟΡΙΑ ΕΙΝΑΙ ΔΟΤΕΣ ΜΕ ΤΟΝ ΑΝΘΡΩΠΙΝΟ ΣΚΕΛΕΤΟ ΤΟΥ BEDTTTF(Η ET) ΠΟΥ ΕΝΑ Η ΔΥΟΑΤΟΜΑ ΘΕΙΟΥ ΤΗΣ ΚΑΡΔΙΑΣ ΤΟΥ ΜΟΡΙΟΥ ΕΧΟΥΝ ΑΝΤΙΚΑΤΑΣΤΑΘΕΙ ΑΠΟ ΑΤΟΜΑ ΣΕΛΗΝΙΟΥ. ΤΑ ΡΙΖΙΚΑ ΑΛΑΤΑ ΑΥΤΩΝ ΤΩΝ ΔΟΤΩΝ ΕΙΝΑΙ ΙΣΟΜΟΡΦΑ ΜΕ ΤΑ ΑΝΤΙΣΤΟΙΧΑ ΤΟΥ ΕΤ, ΑΛΛΑ ΔΕΝ ΕΙΝΑΙ ΥΠΕΡΑΓΩΓΙΜΑ. Η ΤΡΙΤΗ ΚΑΤΗΓΟΡΙΑ ΕΙΝΑΙ ΔΟΤΕΣ ΜΕ ΜΕΓΑΛΟ ΜΗΚΟΣ. ΤΑ ΡΙΖΙΚΑΑΛΑΤΑ ΤΩΝ ΔΟΤΩΝ ΑΥΤΗΣ ΤΗΣ ΚΑΤΗΓΟΡΙΑΣ ΔΕΝ ΛΑΜΒΑΝΟΝΤΑΙ ΜΕ ΜΟΡΦΗ ΚΡΥΣΤΑΛΛΩΝ ΚΑΛΗΣ ΠΟΙΟΤΗΤΑΣ, ΚΑΤΑΛΛΗΛΩΝ ΓΙΑ ΜΕΛΕΤΗ.

IN THIS THESIS WE REPORT THE SYNTHESIS OF THREE CLASSES Π-DONORS MOLECULES, TTFTYPE. THE FIRST CLASS ARE DONORS CONTAINING ONE ETHYLENEDIOXY GROUP. MANY RADICAL SALTS OF THESE DONORS CRYSTALLIZE IN A NEW STRUCTURAL PHASE, THE SO-CALLED R-PHASE. THE SECOND CLASS ARE DONORS WITH THE SAME MOLECULAR SKELETON AS BEDTTTF (OR ET) BUT WITH ONE OR TWO SULFUR ATOMS OF THE TTF CORE REPLACED BY SELENIUM ATOMS. MOST OF THESE DONORS' CATION RADICAL SALTS ARE ISOSTRUCTURAL WITHTHE RESPECTIVE SALTS OF ET, BUT THEY ARE NOT SUPERCONDUCTING. THE THIRD CLASSARE DONORS LONGER THAN THE ALREADY KNOWN. THE RADICAL SALTS OF THESE DONORS DO NOT PRODUCE GOOD QUALITY CRYSTALS APPROPRIATE FOR STUDY OF THEIR PHYSICAL PROPERTIES.

Subjects/Keywords: CATION RADICAL SALTS; ORGANIC CONDUCTORS; ORGANIC SUPERCONDUCTORS; TETRACHALCOGENAFULVALENES; ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ; ΟΡΓΑΝΙΚΑ ΥΠΕΡΑΓΩΓΙΜΑ ΥΛΙΚΑ; Π-DONORS; Π-ΔΟΤΕΣ; ΡΙΖΙΚΑ ΑΛΑΤΑ ΚΑΤΙΟΝΤΩΝ; ΤΕΤΡΑΧΑΛΚΟΓΕΝΑΦΟΥΛΒΑΛΕΝΙΑ

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APA (6^th Edition):

ΛΑΓΟΥΒΑΡΔΟΣ, �. (1994). ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ ΠΟΥ ΒΑΣΙΖΟΝΤΑΙ ΣΕ ΕΤΕΡΟΚΥΚΛΙΚΕΣ ΕΝΩΣΕΙΣ ΜΕ ΟΞΥΓΟΝΟ, ΘΕΙΟ, ΣΕΛΗΝΙΟ ΚΑΙ ΑΖΩΤΟ. (Thesis). Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); National and Kapodistrian University of Athens. Retrieved from http://hdl.handle.net/10442/hedi/3195

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

ΛΑΓΟΥΒΑΡΔΟΣ, ΔΗΜΗΤΡΙΟΣ. “ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ ΠΟΥ ΒΑΣΙΖΟΝΤΑΙ ΣΕ ΕΤΕΡΟΚΥΚΛΙΚΕΣ ΕΝΩΣΕΙΣ ΜΕ ΟΞΥΓΟΝΟ, ΘΕΙΟ, ΣΕΛΗΝΙΟ ΚΑΙ ΑΖΩΤΟ.” 1994. Thesis, Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); National and Kapodistrian University of Athens. Accessed January 24, 2021. http://hdl.handle.net/10442/hedi/3195.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

ΛΑΓΟΥΒΑΡΔΟΣ, ΔΗΜΗΤΡΙΟΣ. “ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ ΠΟΥ ΒΑΣΙΖΟΝΤΑΙ ΣΕ ΕΤΕΡΟΚΥΚΛΙΚΕΣ ΕΝΩΣΕΙΣ ΜΕ ΟΞΥΓΟΝΟ, ΘΕΙΟ, ΣΕΛΗΝΙΟ ΚΑΙ ΑΖΩΤΟ.” 1994. Web. 24 Jan 2021.

Vancouver:

ΛΑΓΟΥΒΑΡΔΟΣ �. ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ ΠΟΥ ΒΑΣΙΖΟΝΤΑΙ ΣΕ ΕΤΕΡΟΚΥΚΛΙΚΕΣ ΕΝΩΣΕΙΣ ΜΕ ΟΞΥΓΟΝΟ, ΘΕΙΟ, ΣΕΛΗΝΙΟ ΚΑΙ ΑΖΩΤΟ. [Internet] [Thesis]. Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); National and Kapodistrian University of Athens; 1994. [cited 2021 Jan 24]. Available from: http://hdl.handle.net/10442/hedi/3195.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

ΛΑΓΟΥΒΑΡΔΟΣ �. ΟΡΓΑΝΙΚΑ ΑΓΩΓΙΜΑ ΥΛΙΚΑ ΠΟΥ ΒΑΣΙΖΟΝΤΑΙ ΣΕ ΕΤΕΡΟΚΥΚΛΙΚΕΣ ΕΝΩΣΕΙΣ ΜΕ ΟΞΥΓΟΝΟ, ΘΕΙΟ, ΣΕΛΗΝΙΟ ΚΑΙ ΑΖΩΤΟ. [Thesis]. Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); National and Kapodistrian University of Athens; 1994. Available from: http://hdl.handle.net/10442/hedi/3195

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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Open Access Theses and Dissertations