A combined crossed-beam and theoretical investigation of radical-radical reaction dynamics of O (3P) +t-C4H9 → OH+iso-C4H8

Mi Ja Nam, Sung Eui Youn, L. Li, Jong Ho Choi

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13 Citations (Scopus)

Abstract

The oxidation reaction dynamics of a saturated hydrocarbon radical t -butyl leading to the isobutene +OH (X Π2: v″ =0, 1, 2) products in the gas phase were first investigated by applying a combination of high-resolution spectroscopy in a crossed-beam configuration and ab initio calculations. By comparing the nascent OH populations with the statistical theory, the reaction mechanism at the molecular level can be described in terms of two competing dynamic pathways: the major direct abstraction process leading to the inversion of vibrational populations, and the minor short-lived addition-complex process for hot rotational distributions.

Original languageEnglish
Article number211105
JournalJournal of Chemical Physics
Volume123
Issue number21
DOIs
Publication statusPublished - 2005

ASJC Scopus subject areas

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

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