Influence of Isotope Effects on Product Polarizations of N(~2D)+D_2, N(~2D)+H_2 and N(~2D)+HD Reactive Systems

作     者：NIE Shan-shan CHU Tian-shu NIE Shan-shan;CHU Tian-shu

作者机构：State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023P.R.China Institute for Computational Sciences and EngineeringLaboratory of New Fiber Materials and Modern Textilethe Growing Base for State Key LaboratoryQingdao UniversityQingdao 266071P.R.China 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究（英文版）)

年 卷 期：2012年第28卷第5期

页      面：897-902页

核心收录：

学科分类：080705[工学-制冷及低温工程] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0807[工学-动力工程及工程热物理] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：Supported by the National Natural Science Foundation of China(No.10874096) 

主　　题：Isotope effect Product polarization Quasi-classical trajectory calculation Potential energy surface 

摘      要：To figure out the influence of isotope effect on product polarizations of the N（2D）＋D2 reactive system and its isotope variants, quasi-classical trajectory（QCT） calculation was performed on Ho＇s potential energy surface（PES） of 2A″ state. Product polarizations such as product distributions of P（θr）, P（φr） and P（θr,φr）, as well as the generalized polarization-dependent differential cross sections（PDDCSs） were discussed and compared in detail among the four product channels of the title reactions. Both the intermolecular and intramolecular isotope effects were proved to be influential on product polarizations.