Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 25 for “"C-H bond activation"”.
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Late transition metal bimetallics for photocatalytic hydrogen production, M-X and C-H bond activation
… efficiency for challenging M-X (X = CI, Br-) bond photoactivations were undertaken by incorporating gold into a heterobimetallic rhodium-gold construct. Additionally the organometallic reactivity of two-electron mixed valence diiridium cores was explored with a specific emphasis on C-H bond …
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Mechanistic studies of electron transfer, complex formation, C-H bond activation, and product binding in soluble methane monooxygenase
Chapter 1. Soluble Methane Monooxygenase: Activation of Dioxygen and Methane The mechanisms by which soluble methane monooxygenase uses dioxygen to convert methane selectively to methanol have come into sharp focus. Diverse techniques have clarified subtle details about each step in the reaction, …
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Solvent-Controlled Switch of Selectivity between sp[superscript]2 and s[superscript]p3 C-H Bond Activation by Platinum (II)
… The factors that control the process of the C-H bond activation, however, are not yet completely understood. C-H bonds are ever-present in organic molecules, but the vast majority of them cannot be exploited for chemical reactions due to their inert and stable nature. Early attempts to activate …
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Methods for Directed C–O Bond Functionalization of Esters and Acyl Equivalents
… arene acylation via sequential C–O/C–H bond activation and a Suzuki-Miyaura cross coupling using N-pyridylimidates as acyl equivalents.
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Activating Aldehyde C-H Bonds: Applications to Hydroacylation and Transfer Hydroformylation
Cross-couplings that proceed via C-H bond activation streamline the synthesis of complex molecules. Rhodium complexes are promising catalysts for these reactions and they readily activate aldehyde C-H bonds to generate acyl-rhodiumIII-hydrides. Developing strategies to control the reactivity of …
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Toward Engineering Oxygenase Activity into the Electron Transfer Protein Azurin
… of enzymes, which are capable of remarkable C-H bond activation under ambient conditions with ascorbic acid and molecular oxygen. In Chapter 2, the power of the cavity mutant approach to small molecule processing in the azurin scaffold is demonstrated through description of the first reported …
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I. Bioanalytical Applications of Polymer Microfluidic Devices. II. Examination of Soft Vibrational Modes for Alkanes Adsorbed on Copper
… molecule-surface interactions related to C-H bond activation. Interest has also been enhanced by the presence of a unique spectral feature, a broad vibrational mode that is shifted to lower frequency from the normal C-H stretching region. This work explores the appearance and location of this …
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Synthesis and Optical Properties of Four Oligothiophene-Ruthenium Complexes and Synthesis of a Bidentate Ligand for C-F Bond Activation
… but fluorescence is quenched when connected. Bonds of carbon to fluorine are among the strongest single bonds. Single bonds between carbon and hydrogen are also very strong and are ubiquitous. The ability to manipulate these bonds is of great interest to chemists. Two tungsten metal complexes, …
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Meeting the challenges: carbon-hydrogen bond activation and cancer treatment
… in oxidative addition mediated C-C, and C-O bond formation processes as well as in C-Cl bond forming reactions via a reductive elimination process. Bis-NHC-Pd(II) complexes have been reported as effective catalysts to mediate direct conversion of methane into methanol. However, a H-D exchange …
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Computational study on the selectivity of iron-containing hydroxylase
… P450 and PtlH as examples. In this work, the C-H activation in the hydroxylation reaction of a model substrate artemisinin catalyzed by three selective P450BM3 variants was studied by combined molecular dynamics (MD) simulations and quantum mechanics/molecular mechanics (QM/MM) calculations. A …
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Exploring Nickel Catalysis in Carbonyl and Alcohol Addition Reactions
… However, this necessitates a formal C-H bond activation which is not well established in the literature. Chapter 1 provides a detailed literature background of the transition metal-catalyzed functionalization of carbonyls and alcohols. The work discussed in Chapter 2 of this thesis …
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Phosphinimide complexes of titanium: Synthesis and reactivity studies of a new family of organometallic compounds.
… titrated with MAO to elucidate possible catalyst activation and deactivation pathways. It was determined that reaction of trimethylaluminum with certain titanium-phosphinimide alkyls produced carbide cluster complexes through C-H bond activation. Crystal structures of these clusters showed the …
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Carbon−Hydrogen Bond Functionalization using Removable Monodentate Directing Groups
… for copper-promoted C−H/N−H coupling of sp2 C−H bonds with pyrazoles, imidazoles, and sulfonamides. Reactions proceed in fluorinated alcohol solvents at elevated temperatures and require use of 1.3−3 equiv of copper(II) acetate. This appears to be the first method for copper-promoted C−H/N−H …
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Quantum Mechanical Study of Spin-Forbidden Reactions in Organometallic Catalysis and Astrochemistry
… spin-forbidden reactions in organometallic C-H bond activation and interstellar peptide-bond formation, as well as the derivation of the Morse empirical potential from an electrostatic model. In the first part, the role of triplet electronic state in spin-accelerated iron-catalyzed C(sp2)-H bond …
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Two approaches to the design and synthesis of bimetallic complexes
… for their catalytic reactivities toward C-H bond activation for nearly two decades. However, both experimental and theoretical studies have not given a clear explanation on the roles of each metal in the reactivities, largely due to the limited number of available bimetallic species. To study …
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Metal complexes with ω-alkenyl ligands. synthesis, structure, reactivity, and applications in chemical vapor deposition (CVD) and hydrosilylation catalysis
… alkyllithium compounds that contain C=C double bonds at the alkyl chain terminus: (2,2-dimethylbut-3-en-1-yl)lithium and the related pentenyl compound (2,2-dimethylpent-4-en-1-yl)lithium. The Li-olefin interactions in the crystal structure of (2,2-dimethylpent-4-en-1-yl)lithium serve as a model …
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Synthesis and Characterization of Siloles, Silole-Containing Polymers and Photoswitchable Polymer Brush
… reaction. The Direct Arylation reaction via C-H bond activation is emerging as a potential alternative to traditional transition metal-catalyzed cross-coupling reactions. We investigated synthetic methods to synthesize silole containing polymers via direct arylation polymerization by screening …
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Palladium and manganese catalysis in C-H activation
Direct arylation via C-H activation has emerged as a powerful tool for the construction of new aryl-aryl bonds and provides an alternative to classical cross coupling procedures. Double C-H activation in particular, represents a more sustainable approach in terms of waste, cost and atom economy. …
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Group 3 and Group 13 Metal Hydride Compounds
… aluminum dialkyl complexes. The (Al)N-C-N(Al) bond angles in the corresponding complexes were determined using structural data. A decrease in the angle with increasing steric bulk of the ligands backbone was observed. Studies regarding the dependency of the used aminopyridinato and guanidinato …
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