同位素效应对H+NH→N+H_2反应的立体动力学性质的影响  

Influence of isotopic effect on the stereodynamics of reaction H+NH→N+H_2

作　　者：王茗馨 王美山[1] 杨传路[1] 刘佳[1] 马晓光[1] 王立志[1] 

机构地区：[1]鲁东大学物理与光电工程学院,烟台264025

出　　处：《物理学报》2015年第4期99-105,共7页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:11474142;11074103)资助的课题~~

摘　　要：基于翟红生和韩克利给出的势能面[Zhai H S,Han K L 2011 J.Chem.Phys.135 104314],运用准经典轨线方法对H+NH及其同位素取代反应的立体动力学性质进行了理论研究.分别计算并讨论了碰撞能c=8和16 kcal/mol时反应的极化微分反应截面、两矢量k-j′相关分布函数(r)、三矢量k-k′-j′相关分布函数(?r)、空间分布函数(r,?r).结果表明,对于上述的两个碰撞能,由于同位素取代反应中质量因子的不同,同位素效应对H+NH反应的立体动力学性质的影响很明显.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-j1 and k-k1-j1, such as angular distributions of P（θr）, P（Фr）, P（θr, Фr） 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-FNH 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 

分 类 号：O643.1[理学—物理化学]