rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Spectroscopic investigations of the vibrational potential energy surfaces in electronic ground and excited states
  name:
    name part: Yang, Juan
    name part: 1981-
    role:
      role term: creator
  name:
    name part: Laane, Jaan
    role:
      role term: thesis advisor.
  type of resource: text
  genre: bibliography
  origin info:
    place:
      place term: txu
    date issued: 2007
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: remote
  abstract: The vibrational potential energy surfaces in electronic ground and excited states of several ring molecules were investigated using several different spectroscopic methods, including far-infrared (IR), Raman, ultraviolet (UV) absorption, fluorescence excitation (FES), and single vibronic level fluorescence (SVLF) spectroscopies. Based on new information obtained from SVLF and millimeter wave spectra, the far-IR spectra of coumaran were reassigned and the one-dimensional ring-puckering potential energy functions for several vibrational states in the S₀ ground state were determined. The barrier was found to be 154 cm⁻¹ and the puckering angles to be ±25°, in good agreement with the millimeter wave barrier of 152 cm⁻¹ and puckering angles of ± 23°. Moreover, the UV absorption and FES spectra of coumaran allowed the one-dimensional ring-puckering potential energy functions in the S₁ excited state to be determined. The puckering barrier is 34 cm⁻¹ for the excited state and the puckering angles are ±14°. Several calculations with different basis sets have been carried out to better understand the unusual vibrational frequencies of cyclopropenone. It was shown that there is strong interaction between the C=O and symmetric C-C stretching vibrations. These results differ quantitatively from a previous normal coordinate calculation and interpretation. The vapor-phase Raman spectrum of 3,7-dioxabicyclo[3.3.0]oct-1,5-ene was analyzed and compared to the predicted spectrum from DFT calculations. The spectrum further shows it has D2h symmetry, in which the skeletons of both rings are planar. The infrared and Raman spectra of vapor-phase and liquid-phase 1,4-benzodioxan and 1,2,3,4-tetrahydronaphthalene were collected and the complete vibrational assignments for both molecules were made. Theoretical calculations predicted the barriers to planarity to be 4809 cm⁻¹ for 1,2,3,4-tetrahydonaphthalene and 4095 cm⁻¹ for 1,4-benzodioxan. The UV absorption, FES, and SVLF spectra of both mo…
  note: by Juan Yang.
  note: "Major Subject: Chemistry"
  note: Title from author supplied metadata (automated record created on Nov. 2, 2007.)
  note: Vita.
  note: Abstract.
  note: Electronic resource.
  note: Mode of access: World Wide Web.
  note: System requirements: World Wide Web access and Adobe Acrobat Reader.
  note: Ph. D. Texas A&M University 2006.
  note: Includes bibliographical references.
  note: Text (Dissertation).
  subject:
    topic: Major chemistry
  subject:
    topic: infrared
  subject:
    topic: molecular structure
  subject:
    topic: spectroscopy
  subject:
    topic: excited state
  subject:
    topic: potential energy surface
  subject:
    topic: fluorescence
  subject:
    topic: vibrational spectra
  subject:
    topic: ultraviolet
  identifier: http://hdl.handle.net/1969.1/5900
  record info:
    record content source: TXA
    record creation date: 080213
    record change date: 20151108081044.0
    record identifier: in00002343412