Quantum reactive scattering calculations of Franck-Condon factors for the photodetachment of H2F- and D2F- and comparisons with experiment

John Z.H. Zhang, William H. Miller, Alexandra Weaver, Daniel Neumark

Research output: Contribution to journalArticle

Abstract

The nuclear Franck-Condon factor for the photodetachment processes H(D)2F- +hv→H(D)2+F+e-, H(D)F+H(D)+e- for J=0 has been calculated using the S-matrix Kohn variational method for reactive scattering on the T5a potential energy surface. The positions of peaks in the spectra of our theoretical calculations are in excellent agreement with those found in the recent experiment of Weaver and Neumark. The width of the main peak in the spectrum of H2F- matches perfectly with the experimental one, but the width of the main peak for the D2F- is narrower than the experiment.

Original languageEnglish (US)
Pages (from-to)283-289
Number of pages7
JournalChemical Physics Letters
Volume182
Issue number3-4
DOIs
StatePublished - Aug 2 1991

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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