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: Molecular force fields and thermodynamic properties of electronically excited triatomic and tetraatomic molecules
  name:
    name part: Kudchadker, Shanti Arvind.
    role:
      role term: creator
  name:
    name part: Fisher, Farley
    role:
      role term: degree committee member.
  name:
    name part: Ham, Joe S.
    role:
      role term: degree committee member.
  name:
    name part: Wilhoit, Randolph C.
    role:
      role term: degree committee member.
  name:
    name part: Zwolinski, Bruno J.
    role:
      role term: degree supervisor.
  name:
    name part: Texas A & M University
    role:
      role term: degree granting institution.
  type of resource: text
  genre: theses
  genre: Academic theses.
  origin info:
    place:
      place term: txu
    date issued: 1967
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: print
    extent: 112 leaves
  abstract: Electronically excited molecules play an important role in photochemical reactions. Up to the present time, thermodynamic properties for the molecules in their excited states have not been reported in the literature. During the past few years, a sufficient number of detailed spectroscopic measurements have been carried out on the rotational and the vibrational states of triatomic and tetraatomic excited species so that calculations of their thermodynamic properties with the methods of statistical mechanics can now be carried out. Certain simple polyatomic molecules, such as H₂O, D₂O, ClO₂, SO[superscript 16, subscript 2], SO[superscript 18, subscript 2], NO₂, CH₂O, CD₂O, and CHDO for which electronic spectra are thoroughly studied and satisfactorily analysed, were selected for this study to carry out statistical calculations of the thermodynamic properties. To predict the unobserved fundamental frequencies and molecular force fields, a normal coordinate analyses were carried out using the most general quadratic potential function of the valence force type. For formaldehyde, Schachtschneider's perturbation program for 709 digital computer was used. For the water molecule, Wilson's FG matrix method employing data for the isotopic species was used. For remaining bent triatomic molecules, it was established that the modified method of operation of high and low frequencies may be successfully employed. Finally, assuming the rigid rotor harmonic oscillator approximation, the thermodynamic properties such as enthalpy of formation, heat capacity, entropy, and Gibbs energy of formation for these excited molecules were predicted and compared with those in the ground states.
  note: Ph. D. in Chemistry Texas A & M University
  subject:
    topic: Major chemistry
  identifier: http://proxy.library.tamu.edu/login
  identifier: https://hdl.handle.net/1969.1/DISSERTATIONS-664258
  related item:
    location:
      url: http://proxy.library.tamu.edu/login
  related item:
    location:
      url: https://hdl.handle.net/1969.1/DISSERTATIONS-664258
  record info:
    record content source: TXA
    record creation date: 791113
    record change date: 20220104090454.0
    record identifier: in00000656036
    language of cataloging:
      language term: eng