Acta Phys. -Chim. Sin. ›› 2009, Vol. 25 ›› Issue (05): 935-940.doi: 10.3866/PKU.WHXB20090520

• ARTICLE • Previous Articles     Next Articles

A Quasi-Classical Trajectory Study on the Effect of Reagent Vibrational Excitation on the Reaction of He+H+2→HeH++H

KONG Hao, LIU Xin-Guo, XU Wen-Wu, ZHANG Qing-Gang   

  1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, P. R. China
  • Received:2008-12-01 Revised:2009-02-23 Published:2009-05-04
  • Contact: LIU Xin-Guo E-mail:liuxinguo@sdnu.edu.cn

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Abstract:

We studied the dynamical stereochemistry of the He+H+2 (v=0-2, j=0)→HeH++Hreactions using the quasi-classical trajectory (QCT) method on a PPA surface (Palmieri, P. ; Puzzarini, C.; Aquilanti, V. Mol. Phys., 2000, 98: 1835). Results indicate that the reagent's vibrational excitation has a considerable influence on the distributions of the k-j' correlation and the k-k'-j' correlation. In addition, polarization dependent generalized differential cross-sections were found to be sensitive to the vibrational number.

Key words: Vector correlation, Polarization dependent differential cross section, Vibrational number, Quasi-classical trajectory method