物理化学学报 >> 1999, Vol. 15 >> Issue (06): 573-576.doi: 10.3866/PKU.WHXB19990618

研究简报 上一篇    

H+CN体系中平行络合反应的动力学

谢洪平, 蒋刚, 张静, 吕利刚, 朱正和   

  1. 四川师范学院化学系，南充 637002|四川大学原子与分子科学研究所，成都 610065
  • 收稿日期:1998-08-04 修回日期:1999-01-11 发布日期:1999-06-15
  • 通讯作者: 谢洪平

Molecular Reaction Dynamics for Parallel Complex Reactions in H+CN System

Xie Hong-Ping, Jiang Gang, Zhang Jing, Lv Li-Gang, Zhu Zheng-He   

  1. Department of Chemistry,Sichuan Teacher's College,Nanchong 637002|Institute of Atomic and Molecular Science,Sichuan University,Chengdu 610065
  • Received:1998-08-04 Revised:1999-01-11 Published:1999-06-15
  • Contact: Xie Hong-Ping

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关键词: 分子反应动力学, 络合反应, 经典轨迹法, HCN, HNC

Abstract:

The parallel complex reactions of H(2Sg) + CN(X2Σ+; V=0, 1; J=0)→HCN (X1 ∑+) and HNC(X1∑+ ) have been studied by using classical trajectory method. The results show that the two reactions all have not threshold energies. When the vibration state V= 0 for CN (X2∑+ ), there is not main superior product in HCN and HNC. When V=1 for CN(X2 ∑+),HCN is the more superior product. However, it has been discovered that Herschbach rule and the angular momentum rule can been all used in the reaction system, but their using ranges change with initially relative translational energies and vibration states for the reactant CN(X2 ∑+).

Key words: Molecular renction dynamics, Parallel complex reaction, Classical trajectory method, HCN, HNC