• Login
    View Item 
    •   Shocker Open Access Repository Home
    • Graduate Student Research
    • ETD: Electronic Theses and Dissertations
    • Master's Theses
    • View Item
    •   Shocker Open Access Repository Home
    • Graduate Student Research
    • ETD: Electronic Theses and Dissertations
    • Master's Theses
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

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

    View/Open
    Thesis (700.3Kb)
    Date
    2010-05
    Author
    Dain, Ryan P.
    Advisor
    Van Stipdonk, Michael J.
    Metadata
    Show full item record
    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.
    Description
    Thesis (M.S.)--Wichita State University, College of Liberal Arts and Sciences, Dept. of Chemistry
    URI
    http://hdl.handle.net/10057/3300
    Collections
    • CHEM Theses and Dissertations
    • LAS Theses and Dissertations
    • Master's Theses

    Browse

    All of Shocker Open Access RepositoryCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsBy TypeThis CollectionBy Issue DateAuthorsTitlesSubjectsBy Type

    My Account

    LoginRegister

    Statistics

    Most Popular ItemsStatistics by CountryMost Popular Authors

    DSpace software copyright © 2002-2023  DuraSpace
    DSpace Express is a service operated by 
    Atmire NV