A combination of theoretical chemistry and “action” spectroscopy has become the most
used tool for the exploration of gas-phase molecular ions. In this study, density functional theory
(DFT) calculations were used to test the validity of conclusions drawn from the results of a
matrix-isolation infrared (MI-IR) experiment and develop a modeling method that could be used
for metal-coordinating chlorate ion pairs. That modeling method was then used in comparison
with experimental infrared multiple photon dissociation (IRMPD) spectroscopy to determine the
structures of metal-chlorate anions. In addition to structural information, the effect of the
modeling method on spectral correlation was also investigated. / Thesis (M.S.)--Wichita State University, College of Liberal Arts and Sciences, Dept. of Chemistry
Identifer | oai:union.ndltd.org:WICHITA/oai:soar.wichita.edu:10057/3300 |
Date | 05 1900 |
Creators | Dain, Ryan P. |
Contributors | Van Stipdonk, Michael J. |
Publisher | Wichita State University |
Source Sets | Wichita State University |
Language | en_US |
Detected Language | English |
Type | Thesis |
Format | xi, 76 p., 1003028 bytes, 1843 bytes, application/pdf, text/plain |
Rights | Copyright Ryan Patrick Dain, 2010. All rights reserved |
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