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Showing 1 to 14 of 14 for “"Organometallic Catalysis"”.
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Quantum Mechanical Study of Spin-Forbidden Reactions in Organometallic Catalysis and Astrochemistry
… investigation of 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 …
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Aqueous Organometallic Catalysis: Nitrile Hydration Catalyzed by Ruthenium(II) 1,3,5-triaza-7-phosphaadamantane (PTA) Derived Complexes
This dissertation investigates the synthesis and characterization of ruthenium complexes containing water-soluble 1,3,5-triaza-7-phosphaadamantane (PTA) and PTA derived ligands for the application of aqueous phase nitrile hydration. A series of PTA and PTA derivatives were characterized via …
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Transition path sampling in organometallic catalysis: Overcoming the rare event problem in ab initio molecular dynamics
… modelling has become a widely-used tool in organometallic chemistry. This modelling is typically limited to identifying the minima and transition states on the potential energy surface (PES) of a reaction and calculating free energies using the harmonic approximation. Ab initio molecular …
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Exploring Photocatalytic and Electrocatalytic Reduction of CO2 with Re(I) and Zn(II) Complexes and Attempts to Employ a Novel Carbene Ligand to this Endeavor
… (NHCs) as a class of ligands in the field of organometallic catalysis, six-membered perimidine based carbenes are further explored. Synthesis of a chelating pyridyl-perimidine NHC in addition to potential transition metal catalysts are also attempted.
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Engineering novel tandem reactions using organometallic catalysts and (metallo)enzymes
… synthesis is founded on three pillars: organometallic catalysis, organoca-talysis and biocatalysis. Over the years, catalysts of these three classes have enabled ground-breaking chemical transformations. The application of chemocatalysis to the manufacturing of chemicals is widespread, …
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Design and engineering of multi-step (bio)catalytic systems
… are key to nature’s synthesis strategies. Biocatalysis is undoubtfully one of the most invaluable gifts given by nature to flourish the development of green chemical and pharmaceutical industries. With the development of protein and metabolic engineering tools and strategies, more and more …
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Ligand Manipulation and Reactivity Studies of Organometallic High Valent Palladium Complexes
<p>Catalysis involving high-valent Pd(III) and Pd(IV) complexes has recently shown important applications in the development of new chemical transformations that compliments conventional Pd<super>0/II</super> catalysis.</p><p>However, the Pd(III) or Pd(IV) intermediates cannot be …
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Catalysts for the Positional Isomerization of Internal, Long-Chain Olefins
… catalysts was tested, and the feasibility of organometallic chain-walking catalysts (both homogeneous and polymer-supported) for olefin isomerization was evaluated. Hexadecene isomerization was investigated using perfluorinated ion exchange resins (Nafion®) supported on SiO2 or Al2O3, …
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DEVELOPMENT OF PRECIOUS METAL-FREE, LIGHT-ENABLED SYNTHETIC METHODOLOGIES
… huge majority of photocatalyzed reactions used organometallic complexes, whose properties made them very attractive. On the other hand, since the natural abundance of these metals is limited and their cost is constantly increasing, it would be highly desirable to replace them with cheaper and …
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Mechanisms of multielectron redox catalysis with low-valent cobalt: defining the roles of coordination number, stereoelectronics and field effects in selectivity for two-electron chemistry
Embargo set by: Seth Robbins for item 91490 Lift date: 2018-03-08T17:22:13Z Reason: Author requested U of Illinois access only (OA after 2yrs) in Vireo ETD system
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A New 2,1,3-Benzothiadiazole-Fused N-Heterocyclic Carbene and Its Metal Complexes
<p>In the last few decades, N-heterocyclic carbenes (NHCs) have emerged as a powerful class of carbon-based ligands. Owing to their unique electronic and steric properties, they have been incorporated in a large variety of catalytically active metal complexes. One of the strategies that have been …
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Metal Mediated Mechanisms of Drug Release
In this thesis will be described research towards the development of bioorthogonal bond-cleavage reactions, and their applications in targeted drug delivery (Figure 1). The first project relates to the development of a palladium mediated bond-cleavage or “decaging” reaction which can cause a …
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Mechanistic Elucidation of M-PR2NRʹ2 Catalysts for Hydrofunctionalization and Cross Coupling Reactions
… observed, which completely arrested productive catalysis, but gave insight into organic product release steps of the mechanism. Isolation of two vinylidene complexes enabled stoichiometric investigations to assess intermolecular hydroamination. Stoichiometric reactions with the vinylidene …
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Rigid Ruthenium PCcarbeneP Complexes for Small Molecule Activation, Hydrogenation, and Dehydrogenation
Small molecule activation is of fundamental importance to the development of catalysts for producing alternative fuels and other value-added products from abundant feedstocks. The capture and subsequent conversion of pollutant molecules like carbon dioxide and nitrous oxide can reduce their …