• Medientyp: E-Artikel
  • Titel: Fragment rotational distributions from the dissociation of NeBr2: Experimental and classical trajectory studies
  • Beteiligte: Nejad-Sattari, Mehdi; Stephenson, Thomas A.
  • Erschienen: AIP Publishing, 1997
  • Erschienen in: The Journal of Chemical Physics
  • Sprache: Englisch
  • DOI: 10.1063/1.473570
  • ISSN: 0021-9606; 1089-7690
  • Schlagwörter: Physical and Theoretical Chemistry ; General Physics and Astronomy
  • Entstehung:
  • Anmerkungen:
  • Beschreibung: <jats:p>The Br2 fragment rotational distributions that result from the vibrational predissociation of NeBr2 in the B electronic state have been measured for several initial vibrational levels. In each case, the rotational distributions extend to the effective energetic limit determined by the amount of energy available (Eavl) for disposal into the fragment rotational and translational degrees of freedom. Analysis of the data allows refinement of the NeBr2 dissociation energy; we find that D0=70.0±1.1 cm−1 for the X electronic state, v=0. Both Δv=−1 and −2 dissociation events have been examined. For dissociation pathways with approximately the same value of Eavl the Δv=−2 pathways are observed to have a higher fraction of the fragment energy in rotational excitation. The overall shape of the Δv=−1 distributions are insensitive to the value of Eavl, suggesting that a Franck–Condon model for the dissociation may have some validity, though quantitative quantum mechanical calculations demonstrate that this model does not reproduce the large degree of fragment rotational excitation. Two classical models for the dissociation also fail to reproduce the extent of fragment rotational distribution. This result is discussed in light of previous experimental and theoretical investigations, focusing on the apparent agreement of classical models with the IBr fragment rotational distributions that result from the dissociation of NeIBr.</jats:p>