物理学报Issue(4)：1-7,7.DOI:10.7498/aps.64.043402
同位素效应对H+NH→N+H2反应的立体动力学性质的影响∗
Influence of isotopic effect on the stereo dynamics of reaction H+NH→N+H2
摘要
Abstract
The stereodynamics of the H+NH reaction and its isotopic variants are investigated by the quasi-classical trajectory method at the collision energies of 8 kcal/mol and 16 kcal/mol based on the ground state potential energy surface of NH2 reported by Zhai and Han [Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314]. Vector correlations of k-j′and k-k′-j′, such as angular distributions of P (θr), P (ϕr), P (θr,ϕr) and the distributions of the polarization-dependent differential cross-sections are discussed in detail. The results indicate that for the two collision energies, the isotopic effect on sterodynamic property of H+NH reaction is apparent which could be attributed to the difference in mass factor in isotopy-susbstituting reaction.关键词
准经典轨线方法/立体动力学/矢量相关/同位素效应Key words
quasi-classical trajectory method/stereodynamics/vector correlations/isotopic effect引用本文复制引用
王茗馨,王美山,杨传路,刘佳,马晓光,王立志..同位素效应对H+NH→N+H2反应的立体动力学性质的影响∗[J].物理学报,2015,(4):1-7,7.基金项目
国家自然科学基金(批准号:11474142,11074103)资助的课题.* Project supported by the National Natural Science Foundation of China (Grant Nos.11474142,11074103) （批准号:11474142,11074103）
