Investigation of gas-phase metal ion complexes using infrared multiple photon dissociation spectroscopy and density functional theory calculations

dc.contributor.advisorVan Stipdonk, Michael J.
dc.contributor.authorDain, Ryan P.
dc.date.accessioned2010-12-07T21:08:49Z
dc.date.available2010-12-07T21:08:49Z
dc.date.copyright2010en
dc.date.issued2010-05
dc.descriptionThesis (M.S.)--Wichita State University, College of Liberal Arts and Sciences, Dept. of Chemistryen
dc.description.abstractA 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.extentxi, 76 p.en
dc.format.extent1003028 bytes
dc.format.extent1843 bytes
dc.format.mimetypeapplication/pdf
dc.format.mimetypetext/plain
dc.identifier.othert10009
dc.identifier.urihttp://hdl.handle.net/10057/3300
dc.language.isoen_USen
dc.publisherWichita State Universityen
dc.rightsCopyright Ryan Patrick Dain, 2010. All rights reserveden
dc.subject.lcshElectronic dissertationsen
dc.titleInvestigation of gas-phase metal ion complexes using infrared multiple photon dissociation spectroscopy and density functional theory calculationsen
dc.typeThesisen
Files
Original bundle
Now showing 1 - 1 of 1
Loading...
Thumbnail Image
Name:
t10009_Dain.pdf
Size:
700.33 KB
Format:
Adobe Portable Document Format
Description:
Thesis
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.8 KB
Format:
Item-specific license agreed upon to submission
Description: