Degree Type

Dissertation

Date of Award

2012

Degree Name

Doctor of Philosophy

Department

Chemistry

First Advisor

Theresa L Windus

Second Advisor

Mark S Gordon

Abstract

The present work consists of chapters that are either in press, in preparation for submission, or previously unpublished. Chapter 2 is a study of carbonyl and nitrile addition to uranyl (UO22+). Chapter 3 investigates the competition between nitrile and water ligands in the formation of uranyl complexes. Chapter 4 examines the possibility of hypercoordinated uranyl with acetone ligands. Chapter 5 is a study of uranyl with diactone alcohol ligands as a means to explain the apparent hypercoordinated uranyl. A Discussion of the formation of mesityl oxide ligands is also included in chapter 5. Chapter 6 is a joint theory/experimental study of reactions of zwitterionic boratoiridium(I) complexes with oxazoline-based scorpionate ligands. Chapter 7 is a computational study of the catalytic hydroamination/cyclization of aminoalkenes with zirconium-based catalysts. Chapter 8 is a survey of techniques for programming for graphical processing units (GPUs) using Fortran. Chapter 9 is a discussion of the general conclusions drawn from the work presented in this dissertation.

DOI

https://doi.org/10.31274/etd-180810-1954

Copyright Owner

George Schoendorff

Language

en

Date Available

2012-10-31

File Format

application/pdf

File Size

226 pages

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