Experimental and theoretical studies of Hf*, Ta+, and Ta2+ reacting with methane

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Publication Type thesis
School or College College of Science
Department Chemistry
Author Parke, Laura Grace
Title Experimental and theoretical studies of Hf*, Ta+, and Ta2+ reacting with methane
Date 2009-08
Description Guided-ion-beam tandem mass spectrometer techniques are used to study the activation of methane by the third-row transition metal ions, M = Hf, Ta+ , and Ta2 + . In the studies of the third-row transition metals reacting with methane, experimental cross sections are measured as a function of kinetic energy of the reactants and are used to derive the absolute bond dissociation energies of the transition metal complexes, MCHX + (x = 0-3). In addition, TaCfi2+ is reacted with H2 and D2 to examine the rate constants for the reverse reaction. Complementary ab initio calculations are performed to provide the electronic structures of the product species, as well as intermediates and transition states along the reactive potential energy surface. The main goal of this work is to better understand the ability of atomic transition metal ions to activate C-H bonds as well as provide fundamental information regarding metal-ligand bond interactions and provide insight into the role of spin conservation in these heavy-metal systems.
Type Text
Publisher University of Utah
Subject Methane; Metal ions
Dissertation Institution University of Utah
Dissertation Name MS
Language eng
Relation is Version of Digital reproduction of "Experimental and theoretical studies of Hf*, Ta+, and Ta2+ reacting with methane" J. Willard Marriott Library Special Collections, QD3.5 2009 .P37
Rights Management © Laura Grace Parke
Format Medium application/pdf
Format Extent 18,538,777 bytes
Identifier us-etd2,104566
Source Original: University of Utah J. Willard Marriott Library Special Collections
Conversion Specifications Orginal scanned on Epson GT-30000 as 400 dpi to pdf using ABBYY FineReader 9.0 Professional Edition.
ARK ark:/87278/s6dz0ptx
Setname ir_etd
Date Created 2012-04-23
Date Modified 2017-12-11
ID 192515
Reference URL https://collections.lib.utah.edu/ark:/87278/s6dz0ptx