物理化学学报 >> 2001, Vol. 17 >> Issue (06): 521-525.doi: 10.3866/PKU.WHXB20010610

研究论文 上一篇    下一篇

碰撞能量对反应Sr＋HF转动取向的影响

蔡孟秋;唐璧玉;杨国伟;杨益明;韩克利   

  1. 湘潭大学物理系,湘潭　411105；中国科学院大连化学物理研究所 分子反应动力学国 家重点实验室,大连　116023
  • 收稿日期:2000-11-17 修回日期:2001-02-15 发布日期:2001-06-15
  • 通讯作者: 蔡孟秋 E-mail:cai_mq@263.net

Rotational Alignment of the Reaction Sr＋HF as a Function of Collision Energies

Cai Meng-Qiu;Tang Bi-Yu;Yang Guo-Wei;Yang Yi-Ming;Han Ke-Li   

  1. Department of Physics, Xiangtan University, Xiangtang　411105;The State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian　116023
  • Received:2000-11-17 Revised:2001-02-15 Published:2001-06-15
  • Contact: Cai Meng-Qiu E-mail:cai_mq@263.net

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摘要： 在推广LEPS势能面上，用经典轨线方法，研究了反应碰撞能量对反应Sr＋HF的转动取向的影响.计算结果与产物轨道角动量模型进行比较.计算结果表明，随着碰撞能量的增加，产物转动取向越强烈.

关键词: 轨线计算, 推广LEPS势能面, 碰撞能量, 转动取向

Abstract: The trajectory calculations of the reaction Sr＋HF on the extended LondonEyring PolanyiSato (LEPS) potential energy surface have been carried out to study the dependence of product rotational alignment on the collision energies. The calculated results for the reaction of Sr＋HF were compared with the predictions from the constrained product orbital angular momentum model. The final rotational angular momentum was found to be perpendicularly polarized with respect to the reagents′ relative velocity vector. The higher the collision energies are the more anisotropic is the distribution of the product rotational angular momentum vector.

Key words: Trajectory calculation, LEPS potential energy surface, Collision energies, Rotational alignment