Combined Computational and Experimental Investigation of Reaction Mechanisms Applied to CVD Precursor Chemistry and Transition Metal Catalyzed Reactions
2022-08
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Combined Computational and Experimental Investigation of Reaction Mechanisms Applied to CVD Precursor Chemistry and Transition Metal Catalyzed Reactions
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2022-08
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This thesis is a disparate collection of research involving computational chemistry, materials chemistry, and organometallic chemistry. Computational chemistry
is used throughout to support experimental research and improve our fundamental
understanding of the chemistry being studied. One common theme is the use of
computations to understand reaction mechanisms and use this to inform experimental
design. Chapter 2 investigates the gas phase thermochemistry of alkyl tin precursors in
CVD applications to identify useful precursor properties. Chapter 3 uses density
functional theory to understand a titanium catalyzed oxidative N-N coupling reaction.
Chapter 4 utilizes a kinetic investigation of palladium catalyzed carbonylation reactions
to assist in the development of a terpolymerization reaction to synthesize polyketoester
polymers with tunable properties.
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University of Minnesota Ph.D. dissertation. August 2022. Major: Chemistry. Advisor: Ian Tonks. 1 computer file (PDF); xx, 162 pages + 2 supplemental files.
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Harkins, Robin. (2022). Combined Computational and Experimental Investigation of Reaction Mechanisms Applied to CVD Precursor Chemistry and Transition Metal Catalyzed Reactions. Retrieved from the University Digital Conservancy, https://hdl.handle.net/11299/243172.
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