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Dissertations / Theses on the topic 'Chemical bonds'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Szarek, Pawel. "Theoretical Study of Electronic States of Chemical Bonds." 京都大学 (Kyoto University), 2008. http://hdl.handle.net/2433/66212.

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Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(工学)<br>甲第14161号<br>工博第2995号<br>新制||工||1444(附属図書館)<br>26467<br>UT51-2008-N478<br>京都大学大学院工学研究科マイクロエンジニアリング専攻<br>(主査)教授立花明知, 教授榊茂好, 教授木村健二<br>学位規則第4条第1項該当

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2

Peebles, Lynda Renee. "Investigations of Thermochemistry and the Kinetics of H Atom Radical Reactions." Thesis, University of North Texas, 2002. https://digital.library.unt.edu/ark:/67531/metadc3275/.

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The thermochemistry of several species, and the kinetics of various H atom radical reactions relevant to atmospheric and combustion chemistry were investigated using ab initio theoretical techniques and the flash photolysis / resonance fluorescence technique. Using ab initio quantum mechanical calculations up to the G3 level of theory, the C-H bond strengths of several alkanes were calculated. The bond strengths were calculated using two working reactions. From the results, it is apparent that the bond strengths decrease as methyl groups are added to the central carbon. The results are in good

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3

Shen, Yangyang. "Visible Light Photoredox Promoted Transformations of Inert Chemical Bonds." Doctoral thesis, Universitat Rovira i Virgili, 2018. http://hdl.handle.net/10803/665125.

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L'última dècada ha estat testimoni del desenvolupament dramàtic de la catàlisi de fotògrafs de llum visible, s'han descobert algunes de les transformacions no reconegudes anteriorment i es van iniciar en condicions excepcionalment suaus. Les aplicacions habilitades per la tècnica de photoredox s'han trobat en síntesi orgànica, farmàcia i ciències dels materials. Tanmateix, la funcionalització dels enllaços químics inerts més enllà de la capacitat confinada dels fotocatalizadores convencionals segueix sent menys explorada. Tenint en compte l'interès investigador del grup Martín i el potencial

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4

Jang, Nak Han. "Developing and validating a chemical bonding instrument for Korean high school students /." free to MU campus, to others for purchase, 2003. http://wwwlib.umi.com/cr/mo/fullcit?p3115557.

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5

Uang, Shinian. "Preparation and Stereochemistry of Reactive Intermediates Containing a Silicon-Carbon Double Bond." Thesis, University of North Texas, 1991. https://digital.library.unt.edu/ark:/67531/metadc277928/.

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1,1-Dimethyl-2-neopentylsilene reacted with the N-methylimine of benzophenone to give 1,2,2-trimethyl-3- neopentyl-4,4-diphenyl-l-aza-2-silacyclobutane, I, and 2,3,4,4a-tetrahydro-2,3,3-trimethyl-1-phenyl-4-neopentyl-2- aza-3-silanephthalene, II, in 35% and 20% yields, respectively. Compounds I and II did not serve as thermal silene precursors. Heating I and II to over 280°C did not yield 1,3-disilacyclobutanes. In the presence of 2,3- dimethyl-1,3-butadiene typical silene products were not obtained. However, I and II reacted rapidly with methanol at room temperature to give the ring-opened pr

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6

Brea, Noriega Oriana. "Novel tools for the analysis of non-standard chemical bonds : theoretical insight into the nature of beryllium bonds." Thesis, Toulouse 3, 2017. http://www.theses.fr/2017TOU30039/document.

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Le concept de liaison chimique compte parmi les plus importants de la chimie car il permet de décrire aussi bien les propriétés chimiques d'un système que de comprendre et prédire les réactions chimiques. L'objectif principal de cette thèse est l'étude de nouveaux types d'interactions chimiques impliquant l'atome de béryllium. L'atome Be présente d'importantes propriétés chimiques en raison de la basse énergie des orbitales pBe. Compte tenu de leur toxicité, les composés de béryllium ont été relativement peu étudié sur le plan expérimental. Nous rapportons une analyse théorique de trois nouvea

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7

Dressel, Jürgen. "Through-bond interaction of two mutually perpendicular [pi]-ribbons through a cyclobutane relay /." The Ohio State University, 1987. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487324944214397.

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8

Determan, John J. Omary Mohammad A. "Computational studies of bonding and phosphorescent properties of group 12 oligomers and extended excimers." [Denton, Tex.] : University of North Texas, 2008. http://digital.library.unt.edu/permalink/meta-dc-9108.

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9

Hoskins, Travis Justin Christopher. "Carbon-carbon bond forming reactions." Thesis, Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/29769.

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Thesis (M. S.)--Chemical Engineering, Georgia Institute of Technology, 2009.<br>Committee Chair: Dr. Christopher Jones; Committee Co-Chair: Dr. Pradeep Agrawal; Committee Member: Dr. Sujit Banerjee; Committee Member: Dr. Tom Fuller. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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10

Austen, Maggie A. Bader R. F. W. "A new procedure for determining bond orders in polar molecules, with applications to phosphorus and nitrogen containing systems /." *McMaster only, 2003.

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11

Emseis, Paul, University of Western Sydney, of Science Technology and Environment College, and of Science Food and Horticulture School. "Non-classical bonding in chiral metal complexes." THESIS_CSTE_SFH_Emseis_P.xml, 2003. http://handle.uws.edu.au:8081/1959.7/557.

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Intramolecular non-covalent interactions between aromatic ligands in chiral Ru(II) and Co(III) complexes have been investigated in this study. Several investigations were carried out and findings given. The results of the study, which demonstrate the significance of non-covalent interactions involving aromatic residues to the determination of the molecular conformation, serve to highlight the suitability of simple chiral metal complexes to act as models for interactions<br>Doctor of Philosophy (PhD)

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12

Kanuru, Vijaykumar. "Understanding surface mediated C-C and C-N bond forming reactions." Thesis, University of Cambridge, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.608956.

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13

Trova, Michael Peter. "Bond shifting and ring inversion within 1,4- and 1,5-annulated cyclooctatetraenes /." The Ohio State University, 1987. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487335992904171.

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14

Flint, Bruce W. "Exploring the bonding and reaction chemistry of gold and platinum complexes /." free to MU campus, to others for purchase, 2001. http://wwwlib.umi.com/cr/mo/fullcit?p3036824.

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15

Thu, Hung-yat. "Catalytic C-H bond functionalization reactions catalyzed by rhodium(III) porphyrin, palladium(II) and platinum(II) acetate complexes." View the Table of Contents & Abstract, 2006. http://sunzi.lib.hku.hk/hkuto/record/B38027872.

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16

Zidane, Bassam Naoraldean. "Microtensile bond strength of resin-dentin bonds following application of a chemical collagen cross-linker using different dentin bonding systems." Thesis, NSUWorks, 2015. https://nsuworks.nova.edu/hpd_cdm_stuetd/68.

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Introduction: The stabilization of dentinal collagen fibers against enzymatic degradation by the use of biocompatible cross-linker agents is of clinical importance for effective dentin bonding to surpass the test of time. Objective: The present study aims to evaluate and compare the effect of the application of two versions of a desensitizer solution to sound coronal dentin, on the microtensile bond strength (μTBS) of the resin-sound coronal dentin using 4th and 6th generation dentin bonding systems. Materials and Methods: Extracted human third molars were collected from an unidentified bank o

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17

Yang, Yan. "Characterization of polyethylene terephthalate, cellulose acetate and their blends." Thesis, This resource online, 1994. http://scholar.lib.vt.edu/theses/available/etd-03302010-020651/.

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18

Gooseman, Natalie. "The influence of the C-N⁺------F-C charge dipole interaction in fluoro organic chemistry /." St Andrews, 2008. http://hdl.handle.net/10023/695.

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19

Henderson, Margaret Esther. "Mechanisms of alkaline glycosidic bond cleavage in 1,5-anhydro-4-O-." Diss., Georgia Institute of Technology, 1986. http://hdl.handle.net/1853/5744.

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20

Wen, Ting Bin. "Alkyne activation and carbon-carbon bond formation mediated by osmium complexes /." View Abstract or Full-Text, 2003. http://library.ust.hk/cgi/db/thesis.pl?CHEM%202003%20WEN.

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21

Crampton, Mary Catherine. "Factors affecting selectivity of covalent chromatography." Diss., The University of Arizona, 1988. http://hdl.handle.net/10150/184356.

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Of the interactions utilized in the separation of chemical species, the reversible covalent bond is the strongest and most selective. In order to exploit the selectivity of this interaction, an understanding of the effects of several factors on the formation of the covalent bond have been studied. Covalent chromatography is most useful in solid phase extraction. The strength of the covalent bond will allow for high distribution coefficients needed to quantitatively retain chemical species. The selectivity of the covalent interaction allows for the retention of a specific compound or class of c

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22

Thu, Hung-yat, and 杜鴻溢. "Catalytic C-H bond functionalization reactions catalyzed by rhodium(III) porphyrin, palladium(II) and platinum(II) acetatecomplexes." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2006. http://hub.hku.hk/bib/B38798268.

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23

Hung, Wai Yiu. "Syntheses and reactivities of osmium and ruthenium complexes with metal-carbon triple bonds /." View abstract or full-text, 2006. http://library.ust.hk/cgi/db/thesis.pl?CHEM%202006%20HUNG.

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24

Emseis, Paul. "Non-classical bonding in chiral metal complexes." Thesis, View thesis, 2003. http://handle.uws.edu.au:8081/1959.7/557.

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Intramolecular non-covalent interactions between aromatic ligands in chiral Ru(II) and Co(III) complexes have been investigated in this study. Several investigations were carried out and findings given. The results of the study, which demonstrate the significance of non-covalent interactions involving aromatic residues to the determination of the molecular conformation, serve to highlight the suitability of simple chiral metal complexes to act as models for interactions

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25

Brydges, Stacey McGlinchey Michael J. "The search for correlated rotation in sterically hindered, multi-n-bladed carbon(n)argon(n)(x+/-) (n = 5, 6 and 7) propellers: from models to molecules /." *McMaster only, 2003.

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26

Harkness, Gavin J. "Sequential processes using catalytic C-O bond activation." Thesis, University of St Andrews, 2018. http://hdl.handle.net/10023/12809.

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This thesis is centred around sequential C-C bond forming processes using oxygenated electrophiles. A major part of this research focuses on the constructive deoxygenation of 2-methoxyphenol (guaiacol), a major breakdown product of the renewable feedstock, lignin. 1,2-dielectrophiles are known to be challenging substrates for catalysis if both leaving groups are of similar reactivity, however high selectivity was observed in the palladium- catalysed Grignard cross-coupling of 2-methoxyphenyl-1H-imidazole-1-sulfonate. The previously untested Grignard cross-coupling catalyst, [PdCl₂(Xylyl-Phanep

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27

Wylie, Sara Ann. "Corporate bodies and chemical bonds : an STS analysis of natural gas development in the United States." Thesis, Massachusetts Institute of Technology, 2011. http://hdl.handle.net/1721.1/69453.

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Thesis (Ph. D. in History, Anthropology, and Science, Technology and Society (HASTS))--Massachusetts Institute of Technology, Program in Science, Technology and Society, 2011.<br>Page 689 blank. Cataloged from PDF version of thesis.<br>Includes bibliographical references (p. 652-688).<br>Natural gas extraction in the United States in the early 21st century has transformed social, physical, legal and biological landscapes. The technique of hydraulic fracturing, which entails the high-pressure injection into subsurface shale formations of synthetic chemical mixtures, has been viewed by the natur

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28

Plumridge, Timothy H. "A geometry-based simulation of the hydration of ions and small molecules." Thesis, University of Strathclyde, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.366785.

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29

Lee, Wai-shing, and 李威成. "An evaluation on the teaching and learning of chemical bonding and structure." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2010. http://hub.hku.hk/bib/B50176845.

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The problematics of the teaching and learning of chemical bonding has been widely reported in the literature. Following this, Taber (2001) proposed a teaching sequence alternative to those available in existing curriculum documents and textbooks. He proposed that teaching be started from metallic structure to ionic structure, then giant covalent structure and finally simple molecular structure. During teaching, teachers should be cautioned about the use of language, the undue emphasis on the role of atoms (atomic ontology), the explication of the nature of bonding (based on electrostatic forc

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30

Martín, Fernando J. "Theoretical synthesis of macromolecules from transferable functional groups /." *McMaster only, 2001.

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31

Hanson, Susan Kloek. "Synthesis and reactivity studies of late transition metal complexes relevant to C-H bond activation and functionalization /." Thesis, Connect to this title online; UW restricted, 2007. http://hdl.handle.net/1773/8631.

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32

Lindsay, Curtis George. "Purely ionic and molecular orbital modelings of the bonding in mineral crystal structures." Diss., Virginia Polytechnic Institute and State University, 1988. http://hdl.handle.net/10919/53573.

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The modified electron gas (MEG) model has been used to generate ionic model CaCO₃ crystals in the calcite, aragonite, diopside, and perovskite structure types. For calcite and aragonite, the model predicts shorter CO bonds and larger bulk moduli than observed. Modeling of the thermochemistry of CaCO₃ does not reproduce the observed thermochemistry even qualitatively. The model predicts that the hypothetical diopside structure type is the most stable form CaCO₃ among the four structure types. These discrepancies may illustrate the significance of CO bond covalency in determining the physico-che

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33

Rai, Chaudhuri Anjana. "Electronic structure and bond energy trends in silicon-hydrogen and germanium-hydrogen bond activation by transition metals." Diss., The University of Arizona, 1989. http://hdl.handle.net/10150/184731.

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The electronic structure factors that control Si-H and Ge-H bond activation by transition metals are investigated by means of photoelectron spectroscopy. Molecular orbital calculations are also used to gain additional insight into the orbital interactions involved in bond activation. The complexes studied have the general molecular formula (η⁵-C₅R'₅)Mn(CO)(L)HER₃, where R' is H or CH₃, L is CO or PMe₃, E is Si or Ge and R is Ph or Cl. These compounds are interesting models for catalysts in industrial processes like hydrosilation. The compounds display different stages of interaction and "activ

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34

Wang, Jiaqi. "Transition Metal Catalyzed Oxidative Cleavage of C-O Bond." Thesis, University of North Texas, 2015. https://digital.library.unt.edu/ark:/67531/metadc801914/.

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The focus of this thesis is on C-O bonds activation by transition metal atoms. Lignin is a potential alternative energy resource, but currently is an underused biomass species because of its highly branched structure. To aid in better understanding this species, the oxidative cleavage of the Cβ-O bond in an archetypal arylglycerol β-aryl ether (β–O–4 Linkage) model compound of lignin with late 3d, 4d, and 5d metals was investigated. Methoxyethane was utilized as a model molecule to study the activation of the C-O bond. Binding enthalpies (ΔHb), enthalpy formations (ΔH) and activation enthalpie

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35

Alexander, Jonathan Philip. "Evaluating the durability of wood/FRP bonds through chemical kinetics using a range of mechanical test methods." Fogler Library, University of Maine, 2000. http://www.library.umaine.edu/theses/pdf/AlexanderJP2000.pdf.

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36

Cooper, Christopher Robert. "Novel PET sensors." Thesis, University of Birmingham, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368518.

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37

Emseis, Paul. "Non-classical bonding in chiral metal complexes /." View thesis, 2003. http://library.uws.edu.au/adt-NUWS/public/adt-NUWS20031007.121552/index.html.

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Thesis (Ph.D.) -- University of Western Sydney, 2003.<br>"A thesis submitted as a requirement for admission to the degree of Doctor of Philosophy" Includes bibliographical references (leaves vi, 194-200).

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38

Jayatissa, Kuruppu Lilanthi. "A Metal-Free Approach to Biaryl Compounds: Carbon-Carbon Bond Formation from Diaryliodonium Salts and Aryl Triolborates." PDXScholar, 2015. https://pdxscholar.library.pdx.edu/open_access_etds/2229.

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Biaryl moieties are important structural motifs in many industries, including pharmaceutical, agrochemical, energy and technology. The development of novel and efficient methods to synthesize these carbon-carbon bonds is at the forefront of synthetic methodology. Since Ullmann’s first report of stoichiometric Cu-mediated homo-coupling of aryl halides, there has been a dramatic evolution in transition metal catalyzed biaryl cross-coupling reactions. Our work focuses on the discovery and development of an unprecedented reagent combination for metal-free cross-coupling. It is hypothesized that di

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39

Stoltzfus, Matthew W. "Structure-property relationships in solid state materials a computational approach emphasizing chemical bonding /." Columbus, Ohio : Ohio State University, 2007. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1190087366.

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40

Viger-Gravel, Jasmine. "Characterization of Halogen Bonds with Multinuclear Magnetic Resonance in the Solid-State, X-ray Crystallography, and Quantum Chemical Calculations." Thesis, Université d'Ottawa / University of Ottawa, 2015. http://hdl.handle.net/10393/32851.

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Solid-state nuclear magnetic resonance (SSNMR) has proven to be a useful tool in the characterization of non-covalent interactions such as hydrogen bonding and cation-π interactions. In recent years, the scientific community has manifested a renewed interest towards an important class of non-covalent interaction, halogen bonding (XB), as it has applications in various fields such as crystal engineering and biological processes. This dissertation demonstrates that NMR parameters measured in the solid state are sensitive to changes in electronic structure, which are caused by halogen bonds.

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41

Joshua, Nilmini Sureka. "Novel phosphate bonding composites /." View thesis, 1997. http://library.uws.edu.au/adt-NUWS/public/adt-NUWS20030828.115030/index.html.

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42

Nishibori, Eiji, Masaki Takata, Makoto Sakata, Miho Fujita, Mitsuru Sano, and Motoharu Saitoh. "Studies of Capacity Losses in Cycles and Storages for a Li1.1Mn1.9 O 4 Positive Electrode." The Electrochemical Society, 2004. http://hdl.handle.net/2237/18423.

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43

Southern, Scott Alexander. "Investigations of Non-Covalent Carbon Tetrel Bonds by Computational Chemistry and Solid-State NMR Spectroscopy." Thesis, Université d'Ottawa / University of Ottawa, 2016. http://hdl.handle.net/10393/34408.

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Non-covalent bonds are an important class of intermolecular interactions, which result in the ordering of atoms and molecules on the supramolecular scale. One such type of interaction is brought about by the bond formation between a region of positive electrostatic potential (σ-hole) interacts and a Lewis base. Previously, the halogen bond has been extensively studied as an example of a σ-hole interaction, where the halogen atom acts as the bond donor. Similarly, carbon, and the other tetrel elements can participate in σ-hole bonds. This thesis explores the nature of the carbon tetrel bond thr

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44

Larsen, Aaron. "Harnessing the power of P450 enzymes: a chemical auxiliary-based approach to predictable P450 oxidations at inactivated C-H bonds." Thesis, McGill University, 2012. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=107745.

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Enantioselective hydroxylation of one specific methylene in the presence of many similar groups is debatably the most challenging chemical transformation. Although chemists have recently made progress towards the hydroxylation of inactivated C-H bonds, enzymes like P450s (CYPs) remain unsurpassed in specificity and scope. The substrate promiscuity of many P450s is desirable for synthetic applications; however, the inability to predict the products of these enzymatic reactions and the poor activity and stability of these enzymes is impeding advancement. In chapter 2 of this thesis, we evaluate

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45

Wang, I.-Hsiung 1950. "Kinetics Studies of Substituted Tungsten Carbonyl Complexes." Thesis, University of North Texas, 1989. https://digital.library.unt.edu/ark:/67531/metadc330797/.

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Thermal reactions and flash photolysis are used to study the olefin bond-migration promoted by tungsten carbonyls. Substitution of piperidine (pip) by 2- allylphenyldiphenylphosphine (adpp) in the cis-(pip)(η^1- adpp)W(CO)-4 complex was investigated, and no olefin bond-migration was observed. This suggests that a vacant coordinated site adjacent to the coordinated olefin is an essential requirement for olefin bond rearrangement. The rates of olefin attack on the photogenerated coordinatively unsaturated species, cis-[(CB)(η^1-ol- P)W(CO)-4] (CB = chlorobenzene, p-ol = Ph-2P(CH-2)-3CH=CH-2; n

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46

Stone, Cora Emma. "Neutron studies of amorphous solids." Thesis, University of Reading, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.396244.

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47

Molinarolo, William E. "The high temperature alkaline degradation of phenyl β-D-glucopyranoside". Diss., Georgia Institute of Technology, 1989. http://hdl.handle.net/1853/5753.

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48

Joshua, Nilmini Sureka, University of Western Sydney, and Faculty of Science and Technology. "Novel phosphate bonding composites." THESIS_FST_XXX_Joshua_N.xml, 1997. http://handle.uws.edu.au:8081/1959.7/282.

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A cement material has been developed that has a controllable set time, compressive strength of about 50 MPa and shrinkage of under 2% when heated to 960 degrees centigrade. The main compound of this material has been shown to be the potassium analogue of struvite, in which potassium ion is substituted for the ammonium ion. The cement is formed by reacting a slurry made with potassium carbonate and monoammonium phosphate with magnesium oxide. Ihe amount and rate of addition of water to the mixture is controlled to determine the set time. It has been demonstrated that this cement may be used as

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49

Skouteris, Dimitris. "Structure and dynamics of weakly bound complexes." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301422.

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50

Bouyssy, Pierre X. J. "'1H NMR studies of hydrogen and carbon monoxide chemisorption on the EUROPt-1 catalyst." Thesis, University of Nottingham, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.367319.

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