H+CN体系中平行络合反应的动力学  

Molecular Reaction Dynamics f0r Parallel Complex Reactions in H+CN System

作　　者：谢洪平[1] 蒋刚[2] 张静 吕利刚[1] 朱正和[2] 

机构地区：[1]四川师范学院化学系,南充637002 [2]四川大学原子与分子科学研究所,成都610065 [3]重庆师范专科学校化学系

出　　处：《物理化学学报》1999年第6期573-576,共4页Acta Physico-Chimica Sinica

摘　　要：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 ∑+),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 ∑+),

关 键 词：分子反应动力学 配合反应 HCN HNC 氰酸 

分 类 号：O613.61[理学—无机化学]