Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (06): 573-576.doi: 10.3866/PKU.WHXB19990618

• Note • Previous Articles    

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

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