高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (6): 857.

• 研究简报 • 上一篇    下一篇

一维精确量子散射研究——H+ClH(u)在反应势能面上的振动去激

边文生, 居冠之   

  1. 山东大学理论化学研究室, 济南 250100
  • 收稿日期:1992-04-20 修回日期:1993-02-23 出版日期:1993-06-24 发布日期:1993-06-24
  • 通讯作者: 边文生
  • 基金资助:

    国家自然科学基金

Collinear Exact Quantum Scattering Study ——Vibrational Deactivation of H+ClH(v) on a Reactive Potential Energy Surface

BIAN Wen-Sheng, JU Guan-Zhi   

  1. Institute of Theoretical Chemistry, Shandong University, Jinan, 250100
  • Received:1992-04-20 Revised:1993-02-23 Online:1993-06-24 Published:1993-06-24

关键词: 量子散射, 振动去激, 化学激光, H2Cl体系

Abstract: Collinear exact quantum method is used to study the vibrational deactivation process of H+ClH(v≤3) on a newly-fitted ab initio potential energy surface.The reactive and nonreactive inelastic probabilities are obtained, which are found to oscillate with energy and exhibit some vibrationally nonadiabatic behavior.We conclude that, Hatoms are not very efficient deactivators of vibrationally excited HCl, and in the producing vibrational deactivation the nonreactive inelastic mechanism dominates over the reactive one at lower energies while reactive collisions become more important if the energy is high enough.Many conclusions from this work are shown to be in qualitative agreement with those from some previous literatures.

Key words: Quantum scattering, Vibrational deactivation, Chemical laser, H2Cl system

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