A quantum mechanical study of the collinear Li+FH reaction

Robert B. Walker, Yehuda Zeiri, Moshe Shapiro

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

A quantum mechanical collinear model of the LiFH reaction is studied using the semiempirical potential energy surface of Zeiri and Shapiro. Accurate reaction probabilities are presented over the total scattering energy range from 0.5 to 1.6 eV. At 1.6 eV, three HF reactant vibrational states are energetically accessible, and 15 LiF product vibrational states are accessible. The reaction probabilities show extensive resonance features over the energy range considered, and there is considerable evidence for the formation of a long-lived collision complex from the initial ν=1 state of HF.

Original languageEnglish
Pages (from-to)1763-1769
Number of pages7
JournalJournal of Chemical Physics
Volume74
Issue number3
DOIs
StatePublished - 1 Jan 1980
Externally publishedYes

ASJC Scopus subject areas

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

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