The investigation of spin-orbit effect for the F( 2P) + HD reaction

Yan Zhang, Ting Xian Xie, Ke Li Han, John Z.H. Zhang

Research output: Contribution to journalArticle

Abstract

The nonadiabatic reaction of F( 2P 3/2, 2P 1/2) with H 2 and D 29,30 2 on the Alexander-Stark-Werner potential energy surface, was investigated using the time-dependent quantum wave packet method. The initial state-resolved reactive integral cross sections were determined by summing the reaction probabilities over all the partial waves. The branching ratios and the energy-dependent reactivity of the excited spin-orbit state for the two possible products, were calculated using the cross sections. The results show that at high collision energy, the reactivity of the excited spin-orbit state for the two possible products is no more than 43% of reativity of the ground spin-orbit state.

Original languageEnglish (US)
Pages (from-to)6000-6004
Number of pages5
JournalJournal of Chemical Physics
Volume120
Issue number13
DOIs
StatePublished - Apr 1 2004

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ASJC Scopus subject areas

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

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