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 19 of 19 for “"sterics"”.
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Investigations of the Non-Covalent CH-Π Interactions Using Molecular Torsional Balances
… of the CH-pi interactions were studied, such as sterics, conformational entropy, cooperativity, deuterium isotope effect, substitution effects, and solvent effects. It showed that due to the weak nature of CH-pi interactions, many forces can contribute on determining their interacting energies …
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The Rheology of Anionic Aqueous Polyurethane Dispersions
… to a complex interplay of electrostatics, sterics, and particle deformation. This study represents the first attempt to fully characterize and understand the rheological behavior of these systems from a fundamental perspective. The results of this study lay the ground work for future work, …
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Application of Density Functional Theory to Study the Mechanism of Alkali Metal Enolate Oxidation by N-sulfonyloxaziridines, Umpolung Amide Synthesis from Halo-Amino-Nitro Alkanes, Alkali-Metal Catalyzed Transfer Hydrogenation of Ketones, and Asymmetric Catalyzed Aza-Henry Reactions
… There was a central theme of sterics and other non-covalent interactions, such as - stacking or CH/ interactions, which also played significant roles in determining the stereoselectivity in the investigated reactions.
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Using Molecular Design to Influence Intermolecular Interactions
… are analyzed and insight into how ligand sterics and electronics influence the final cluster structure is discussed.
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Mechanistic Investigations Into The Thermal C-C Bond Forming Cyclization Of Metal Pyridine-Enamide Complexes And The Synthesis And Reactivity Of Cationic And Neutral Iron(Iv) Alkylidene Complexes
… to recalcitrant phosphine dissociation and the sterics at the alkylidene carbon.
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Fluorinated Organic Molecules for Medicinal Applications
… of fluorine into linkers minimally affects the sterics of the linker owing to the small size of fluorine atom while at the same time provides a tractable tag. A fluorinated ADC linker has been designed and its synthesis was explored. </p>
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Studies into the ion exchange and intercalation properties of AlH2P3O10•2H2O
… monoamines and the effects of pK\(_b\) and sterics upon an amines ability to intercalate into AlTP. In addition, intercalation with silver exchanged AlTP was also found to be possible. This was able to intercalate several similar amines to AlTP, but showed its own unique intercalation …
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Supporting Well-Defined Platinum Group Metals in Metal-Organic Frameworks for Heterogeneous Catalysis
… allow for fine control over electronics and sterics to optimize substrate binding, reaction kinetics, and catalyst stability. Platinum group metals (PGMs; Ru, Os, Rh, Ir, Pd, Pt) enjoy special distinction among transition metal catalysts `for their high selectivity and activity for a number …
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INVESTIGATION OF HETEROTRIMER-FORMING COLLAGEN-MIMETIC PEPTIDES THAT INCORPORATE AZA-GLYCINE RESIDUES
… to the target heterotrimer. This work explores a sterics-based approach to the formation of heterotrimeric CMPs. We designed a series of peptide strands that incorporate two substitutions: i) a bulky imino acid at the N- or C-terminal ‘Gly’ position of the Gly-Pro-Hyp repeat, a highly …
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New chelating ligands: Applications to hydrodenitrogenation catalysis
… From the formation of 31 it was determined that sterics play a large role in the formation of η⁶-arene compounds through the cyclotrimerization of alkynes. The reaction of 31 with two equivalents of 3,5-lutidine resulted in the cyclometallation of the ethylene linker which joined the two …
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ANION EFFECTS IN HOMOGENOUS PALLADIUM CATALYSIS AND LUMINESCENT PROPERTIES OF COPPER(I) COMPLEXES BEARING A WEAKLY-COORDINATING ANIONIC N-HETEROCYCLIC CARBENE LIGAND
… imidazole core. Ultimately, it was found that sterics dictate coordinating ability observed by NMR and %Vbur, while IR and computation show the electronic effects of anion coordination. Continuing our understanding of the interplay between cation and anion, anionic Au(I) complexes are …
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Molecular modeling of sigma 1 and sigma 2 receptor ligands: pharmacophore development and comparison using discotech and bioactivity prediction comparison of ab initio and density functional comfa studies for spiro and other receptor ligands
… contour maps which provide information about the sterics and electrostatics, resulting in the ability to apply this information during the design of new ligands. The new molecules can then be tested in the validated CoMFA models to yield bioactivity predictions. This study describes the …
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REPAIR AND EFFECTS OF THE 8-OXOG LESION IN DNA
… to be related to the type of oxidant, its sterics and interactions with the histone surface and altered DNA structure. While there is differences in efficiencies of oxidation of nucleobases throughout the nucleosome, nucleobase oxidation is still widespread within the genome. DNA repair …
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REPAIR AND EFFECTS OF THE 8-OXOG LESION IN DNA
… to be related to the type of oxidant, its sterics and interactions with the histone surface and altered DNA structure. While there is differences in efficiencies of oxidation of nucleobases throughout the nucleosome, nucleobase oxidation is still widespread within the genome. DNA repair …
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New lithium cuprates for the promotion of directed organic transformations
… extensive investigations into the effects of sterics on the formation of cuprates), solution-state, reactivity and theoretical studies are put forward along with the rationale behind them.
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Catalytic implications of confined solvent ensembles within Lewis acid zeolites
… networks reorganize in response to adsorbate sterics and the presence of non-H-bonding co-solvents. Here, we find that first-order rates for methyl-cyclohexanone transfer hydrogenation are ~2-5x higher than for tert-butyl-cyclohexanone, but converge in the zero-order regime across all …
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Metal-ligand cooperativity in first row transition metals: hydrosilylation catalysis and mechanistic insights
… of PNpy provides a convenient system to tune the sterics and electron richness of the ligands. Synthesis of several PNpy ligands and the corresponding metal-dihalide complexes are described. Chapter 5 focuses on Co-(PNpy) complexes obtained by formal 1e reduction of the corresponding Co(II) …
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Step-Growth Polymerization Towards the Design of Polymers: Assembly and Disassembly of Macromolecules
… with the difference attributed to increased sterics surrounding CBDO-GE. These results indicated the suitability of CBDO-GE as a replacement for BPA-GE in many applications.
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Synthesis, characterization and chemical vapor deposition of transition metal di(tert-butyl)amido compounds
Although the transition metal chemistry of many dialkylamido ligands has been well studied, the chemistry of the bulky di(tert-butyl)amido ligand has been largely overlooked. The di(tert-butyl)amido ligand is well suited for synthesizing transition metal compounds with low coordination numbers; …