A three dimensional reactive scattering study of the photodetachment spectrum of ClHCl-

George C Schatz*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

75 Scopus citations

Abstract

In this paper, the photodetachment spectrum of ClHCl- is simulated theoretically by calculating the Franck-Condon overlap between the negative ion ground state vibration/rotation wave function, and a ClHCl scattering wave function that is determined accurately using a three dimensional hyperspherical reactive scattering method. The resulting spectrum shows a broad low energy peak that is due to direct scattering, and a narrow higher energy peak that is mainly due to a resonance associated with the transition state region of the Cl + HCl reaction. These two peaks are in good agreement in position and relative intensity with a spectrum recently measured by Neumark and co-workers.

Original languageEnglish (US)
Pages (from-to)3582-3589
Number of pages8
JournalThe Journal of Chemical Physics
Volume90
Issue number7
DOIs
StatePublished - Jan 1 1989

ASJC Scopus subject areas

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

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