Quantum and classical studies of the O( 3P) + H 2(v=0-3,j=0) → OH+H reaction using benchmark potential surfaces

M. Braunstein, S. Adler-Golden, B. Maiti, G. C. Schatz

Research output: Contribution to journalArticle

46 Citations (Scopus)

Abstract

The excitation function for O( 3P)+H 2(v=0-3,j=0)→OH+H from threshold to 30 kcal/mol collision energy was studied. It was observed that the rotational distributions tend to cluster around high rotational quantum numbers. The differences were found to arise because of vibrational adiabaticity in the quantum dynamics. The results show that the reactive threshold drops from 10 kcal/mol for v=0 to 6 for v=1, 5 for v=2 and 4 for v=3, which suggest a slower increase in rate constant with vibrational excitation above v=1 than below.

Original languageEnglish
Pages (from-to)4316-4323
Number of pages8
JournalJournal of Chemical Physics
Volume120
Issue number9
DOIs
Publication statusPublished - Mar 1 2004

ASJC Scopus subject areas

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

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