| dc.contributor.advisor | Van Stipdonk, Michael J. | |
| dc.contributor.author | Dain, Ryan P. | |
| dc.date.accessioned | 2010-12-07T21:08:49Z | |
| dc.date.available | 2010-12-07T21:08:49Z | |
| dc.date.copyright | 2010 | en |
| dc.date.issued | 2010-05 | |
| dc.identifier.other | t10009 | |
| dc.identifier.uri | http://hdl.handle.net/10057/3300 | |
| dc.description | Thesis (M.S.)--Wichita State University, College of Liberal Arts and Sciences, Dept. of Chemistry | en |
| dc.description.abstract | 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. | en |
| dc.format.extent | xi, 76 p. | en |
| dc.format.extent | 1003028 bytes | |
| dc.format.extent | 1843 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.format.mimetype | text/plain | |
| dc.language.iso | en_US | en |
| dc.publisher | Wichita State University | en |
| dc.rights | Copyright Ryan Patrick Dain, 2010. All rights reserved | en |
| dc.subject.lcsh | Electronic dissertations | en |
| dc.title | Investigation of gas-phase metal ion complexes using infrared multiple photon dissociation spectroscopy and density functional theory calculations | en |
| dc.type | Thesis | en |
