Stereodynamics studies of the Sr+HF reaction using time-dependent quantum wave packet method

Bi Yu Tang, Ben Hui Yang, Li Zhang, Ke Li Han, John Z.H. Zhang

Research output: Contribution to journalArticlepeer-review

Abstract

A time-dependent wave packet calculation is carried out for the Sr+HF reaction in three dimensions. The effects of the reagent initial excitation on the total reaction probabilities (final states summed) as a function of collision energy are studied for the v=0, 1 and j<20 states of HF. It is found that the vibrational excitation can enhance effectively the Sr+HF reaction. A detailed study on steric effects for the reaction at zero total angular momentum is also performed. The calculated results show that the F side of the HF molecule is the most favorite side for reactive attacks and the reactivity strongly depends on the attack angle.

Original languageEnglish (US)
Pages (from-to)381-388
Number of pages8
JournalChemical Physics Letters
Volume327
Issue number5-6
DOIs
StatePublished - Sep 15 2000

ASJC Scopus subject areas

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

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