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 17 of 17 for “"Transition-metal chemistry"”.
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Studying Transition Metal Chemistry inside a Metal-Organic Framework
Metal-organic Frameworks (MOFs) are porous, crystalline materials built from metal ‘nodes’ and interconnecting organic ligands. The combination of crystallinity, porosity and building block design allows MOFs to be tailored at the nanoscale and functionalised to suit specific applications. Reactive …
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Redox active metal-sulfide clusters and computer-assisted instructional lessons on transition metal chemistry
… of a series of interactive videodisc chemistry lessons. These lessons were designed to give first year chemistry students an appreciation of some of the structural and electronic issues of coordination chemistry. This software uses IBM personal computers, Pioneer and Sony videodisc …
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O-O bond formation and the transition metal chemistry of [beta]-diketiminate, siloxide, and triamide ligands
… forming reaction, which can be catalyzed by transition metal species with varying degrees of efficiency. This thesis examines the characteristics of oxygen bonding that complicate the 0-0 bond formation reaction, and examines ligand platforms that can stabilize high valent metal oxo …
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Toward the photo-induced reductive elimination of halogens
… of such bonds, by examining high oxidation state transition metal dimers as potential platforms for the reductive elimination of halogen. Early transition metals were explored with bis(alkylamido)phenylborane ligands. These systems did not demonstrate halogen elimination, but an interesting …
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First-principles transition-metal catalysis : efficient and accurate approaches for studying enzymatic systems
… and highly accurate but expensive quantum chemistry. We also improve structural and vibrational properties, ground state spin identification for a given configuration, and qualitative descriptions of reaction mechanism. Thanks to the minimal overhead of our DFT+U approach, we have also …
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Phenazine: A Building Block for Multinuclear and Heterometallic Complexes, Where the Ligand Acts as an Electron Acceptor and Radical Abstractor
… as a model for the present investigation. The chemistry of phenazine ligand is mostly limited to the late transition metal and f - element complexes. Our laboratory has a rich backgroung in the aluminum and early transition metal chemistry. The aluminum chemistry and early transition metal …
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DRIVING NOVEL REACTIVITY BY DECODING THE ELECTRONIC STRUCTURE OF NONTRIGONAL PHOSPHORUS TRIAMIDES
… with applications ranging from ligands in transition metal chemistry to mediating organic transformations. Their reactivity is canonically regarded as nucleophilic by virtue of the electronic structure governed by their three-fold symmetry. Geometric distortion away from a C₃ᵥ symmetric …
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Frustrated Lewis Pair Reactivity of Phosphino-Phosphenium Cations
… molecules such as H2 belonged to the realm of transition metal chemistry. Since Stephan and co-workers’ seminal report on reversible H2 activation using a main-group phosphinoborane, the field of FLPs has grown immensely to show that main-group compounds can activate a wide range of organic …
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Quantum Chemistry Meets Machine Learning: Autonomous Computational Workflow for Chemical Discovery
… is ongoing in computational sciences. Quantum chemistry software and modern computers have developed to a stage where virtual high throughput screening (VHTS), i.e., running thousands of calculations in parallel, becomes possible. This provides great opportunities for developing automated …
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Non-Heme Iron Complexes Applied to Oxyanion Reduction
… benign or useful molecules by employing metalloenzymes. The macrostructure of metalloenzymes plays a crucial role in catalysis by precisely positioning active sites, regulating substrate access, and facilitating essential conformational dynamics. Within this framework, the secondary …
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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; …
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Exploration of [2+2+2] cyclotrimerisation reactions of alkynes. A new methodology for the synthesis of small molecules to probe biological systems
… development of new synthetic methodologies using transition-metal mediated [2+2+2] cyclotrimerisation of alkynes and unsaturated molecules to form bi- and tricyclic heterocyclic derivatives, some with structural resemblance to the quinocarcin family of natural products. Three different dialkynes …
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Exploration of [2+2+2] cyclotrimerisation reactions of alkynes. A new methodology for the synthesis of small molecules to probe biological systems
… development of new synthetic methodologies using transition-metal mediated [2+2+2] cyclotrimerisation of alkynes and unsaturated molecules to form bi- and tricyclic heterocyclic derivatives, some with structural resemblance to the quinocarcin family of natural products. Three different dialkynes …
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Exploration of [2+2+2] cyclotrimerisation reactions of alkynes. A new methodology for the synthesis of small molecules to probe biological systems
… development of new synthetic methodologies using transition-metal mediated [2+2+2] cyclotrimerisation of alkynes and unsaturated molecules to form bi- and tricyclic heterocyclic derivatives, some with structural resemblance to the quinocarcin family of natural products. Three different dialkynes …
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High-Performance Low-Cost Catalysts for Water Electrolysis: A Computational and Experimental Study
… of low-cost, highly active and durable transition metal oxide (TMO) catalysts for water electrolysis is a requirement to enable H2 production on a large scale. However, the water electrolysis process is hindered by the oxygen evolution reaction (OER), which has slow kinetics and a high …