CH stretching excitation steers the F atom to the CD bond in the F + CHD3 reaction

Gábor Czakó, Joel M. Bowman

Research output: Contribution to journalArticle

80 Citations (Scopus)

Abstract

(Chemical Equation Presented) Quasiclassical trajectories on an ab initio potential energy surface show that a stereodynamical effect steers the F atom away from the stretching-excited CH bond, thereby promoting the DF + CHD 2 product channel of the F + CHD3(v1 = 1) reaction at low collision energies. This explains the unexpected results of a recent crossed molecular beam experiment.

Original languageEnglish
Pages (from-to)17534-17535
Number of pages2
JournalJournal of the American Chemical Society
Volume131
Issue number48
DOIs
Publication statusPublished - Dec 9 2009

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ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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