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Filtering by: Has journal Journal of Molecular Spectroscopy Remove constraint Has journal: Journal of Molecular Spectroscopy Academic Affiliation Chemistry Remove constraint Academic Affiliation: Chemistry Committee Member Lerner, Michael Remove constraint Committee Member: Lerner, Michael

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  • Tracking Photoinduced Primary Events with Femtosecond Stimulated Raman Spectroscopy and Calculations

    Creator:
    Wang, Yanli
    Abstract:
    Femtosecond stimulated Raman spectroscopy (FSRS) is a powerful ultrafast technique which can track photoinduced excited state structural events on femtosecond (fs) to picosecond (ps) timescales. In addition to high temporal and spectral resolutions, FSRS provides a broad spectral window from ca. 100—2000 cm-1 for detection, enabling the direct mapping of...
    Resource Type:
    Dissertation
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    . With the aid of Gaussian calculations and molecular dynamics (MD) simulations, the structure

  • Examination of low-lying rovibrational states of D₃[subscript h] oblate top molecules using high resolution FTIR and coherent anti-Stokes Raman spectroscopies

    Creator:
    Kirkpatrick, Robynne
    Abstract:
    Interesting rovibrational characteristics of two D_(3h) oblate symmetric top molecules were studied. Hamiltonian models for the fine rovibrational level structure of [1.1.1]propellane (propellane) were obtained for many low-lying modes. Ground state parameters (GSP) that are not exclusively K^(2n) dependent were obtained. Initially, the GSP were used in conjunction with density...
    Resource Type:
    Dissertation
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    . Ground Vibrational State Parameters Obtained from High Resolution FTIR Spectroscopy of

  • Structural Elucidation of Metal-Oxo Systems by X-Ray Scattering Methods

    Creator:
    Kozma, Karoly
    Abstract:
    Metal-oxo clusters are discrete molecular metal-oxides. Most metals form numerous cluster compounds that can be ligated, unligated, charged or neutral, controlling their solubility in water and/or organic solvents. They are important species to study reaction pathways from the monomeric building units to the bulk metal oxides, and have many application...
    Resource Type:
    Dissertation
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    -oxo clusters Metal-oxo clusters are molecular metal-oxide compounds that form by self-assembly of

  • Investigation of the structural influence on the properties of functional inorganic oxides

    Creator:
    Laurita-Plankis, Geneva
    Abstract:
    While properties are extremely important from an application point of view, it is crucial to have a detailed understanding of the underlying structural influence. Once a concrete correlation between the structure and the observed property is established, rational design of novel materials with optimized properties can be realized. These optimized...
    Resource Type:
    Dissertation
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    -deficient to ideal pyrochlore solid solution. Journal of Solid State Chemistry 2013, 210, 65 – 73 and

  • Femtosecond Stimulated Raman Studies of Excited State Structural Events

    Creator:
    Tang, Longteng
    Abstract:
    Femtosecond stimulated Raman spectroscopy (FSRS) is an ultrafast vibrational technique which allows rapid collection of Raman spectra with simultaneously high temporal and spectral resolution. With the recent development of FSRS methodology, three FSRS techniques (conventional, tunable, and anti-Stokes) have been implemented in our laboratory to dissect the excited state structural...
    Resource Type:
    Dissertation
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    . .............................................. 34 Figure 2.1. The TYG chromophore (a) structure and (b) electronic spectroscopy of G- GECO1.1

  • Structure-property relationships of oxides with hexagonal AMO₃ and brownmillerite related structures

    Creator:
    Jiang, Peng
    Abstract:
    Transition metal oxides exhibit potential in various application fields due to the special d-electrons. Solid state chemistry focuses on discovering the structure-property relationships. The work in this thesis mainly discusses compounds with hexagonal or brownmillerite-type structure and their practical properties. Hexagonal YIn[subscript 1-x]Fe[subscript x]O₃ (x = 0-0.3, 0.7-1.0) phases have...
    Resource Type:
    Dissertation
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    measurements and Mössbauer spectroscopy conclude the mixed valence of Fe 3+ /Fe 4+ for all the phases

  • Preparation and characterization of polymer-SiO₂ hybrids

    Creator:
    Ferguson, Morgan L.
    Abstract:
    In a search for designed materials that mimic those found in biological systems, combining polymers with inorganic materials in sol-gel chemistry processes has gained momentum in the research world since the 1990's. This work methodically investigated the properties of several related polymer-SiO₂ hybrids prepared by a simple methodology that could...
    Resource Type:
    Dissertation
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    TABLE OF CONTENTS Page Fourier Transform Infrared Spectroscopy….………………….. 134

  • Designing Functional Materials Based on Pyrochlore Oxides: The Role of Mixed Valence and Complex Stoichiometry

    Creator:
    Converse, Elizabeth Maria Sobalvarro
    Abstract:
    Solid state inorganic oxides play an important role in next generation electronics based on their stability, versatility, and enhanced properties over other materials. However, in order to design or tune these materials for a desired functionality it is necessary to fully understand the structure behind the properties exhibited. This dissertation...
    Resource Type:
    Dissertation
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    both neutron powder diffraction and X-ray absorption spectroscopy, suggesting that a combination of

  • Preparation and Properties of Porous Carbon Materials

    Creator:
    Xing, Zhenyu
    Abstract:
    Porous carbon is indispensable in modern technology applications. It is used for energy storage, gas separation, water purification, catalyst support, and chromatography. The diversity of its applications stems from its unique properties, including high specific surface area, tunable pore volume, and chemical stability. Specifically, the large surface area provides high...
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    Dissertation
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    graphite belongs to the atom crystal while different layers of graphite belong to the molecular crystal

  • Direct patterning of solution deposited metal oxides

    Creator:
    Stowers, Jason K.
    Abstract:
    Patterning of metal oxides typically involves a multi step process, involving depositing a resist, patterning that resist with some form of lithography, etching the oxide through the resist, and finally removing. This process can be simplified if the resist is removed and replaced with a metal oxide that can be...
    Resource Type:
    Dissertation
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    the molecular species in the resist, anisotropy of their distribution, and their interaction volumes