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: Photophysics and photochemistry of molecules
  name:
    name part: Torralva, Ben Robert.
    role:
      role term: creator
  type of resource: text
  genre: bibliography
  origin info:
    place:
      place term: xx
    date issued: 2001
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: print
    extent: xxv, 168 leaves : illustrations ; 28 cm.
  abstract: We present a model suitable for performing realistic simulations of nonadiabatic processes in complex molecules and materials. The model was first used within an orthogonal tight-binding scheme to simulate the photoexcitation of coherent phonons. It was then generalized to incorporate nonorthogonal basis sets. With further extension to a density-functional based tight-binding scheme, simulations were performed on the fullerene C₆₀ to study various photoexcitation phenomena over a range of intensities. Photofragmentation of C₆₀ proceeds with the emission of carbon dimers. The photofragmentation of small linear chains, on the other hand, leads to the emission of trimers. The collision of C₆₀ with a projectile atom was observed to produce cage fragmentation, with the emission of two carbon dimers, followed by subsequent reformation of a new fullerene C₅₆ with a 7-membered ring and a compensating extra pentagon. Simulations with organic molecules include the photoinduced 2+2 cycloaddition reaction in which cyclobutane is produced from two ethylene molecules. The selective photodissociation reaction of cyclobutane revealed the formation of the tetramethylene diradical reaction intermediate. The photoisomerization of butadiene was observed to proceed from both trans-to-cis and cis-to-trans. Lastly, it was demonstrated that both electronic excitations and vibrations can be coherently controlled in benzene. The above results are compared to the available experimental data, and the agreement is remarkably good. However, the simulations provide detailed microscopic information about ultrafast phenomena which is inaccessible in the experiments.
  note: by Ben Robert Torralva.
  note: Vita.
  note: "Major Subject: Physics".
  note: Issued also on microfiche from University Microfilm Inc.
  note: Ph. D. Texas A&M University 2001.
  note: Includes bibliographical references (leaves 159-167).
  subject:
    topic: Major physics
  identifier: 30-11809 UMI
  identifier: http://proxy.library.tamu.edu/login
  related item:
    location:
      url: http://proxy.library.tamu.edu/login
  record info:
    record content source: TXA
    record creation date: 020429
    record change date: 20190325103110.0
    record identifier: in00001671786