Influence of the reagent vibration on the stereodynamics of the reactions D^-+H_2 and H^-+D_2  

作　　者：Chen Xiao-Qiong Wang Mei-Shan Yang Chuan-Lu Wu Ji-Cheng 陈肖琼;王美山;杨传路;吴继成(School of Physics,Key Laboratory of Atomic and Molecular Physics of Shandong Province,Ludong University,Yantai 264025,China)

机构地区：[1]School of Physics,Key Laboratory of Atomic and Molecular Physics of Shandong Province,Ludong University,Yantai 264025,China

出　　处：《Chinese Physics B》2012年第2期266-271,共6页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant No.11074103);the Discipline ConstructionFund of Ludong University,China

摘　　要：Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D- ＋ H2 and H- ＋ D2 is studied at a collision energy of 35.7 kcal/mol. Four generalized polarization-dependent differential cross sections （2π/σ） （dσ00/dωt）, （2π/σ） （dσ20/dσ20）, （27π/σ） （dσ22＋/dwt）, and （2π/σ）（dπ/σ） are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P（θr）, P（~r） and P（Oφ） of the title reactions are also analysed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j^1 sensitively depend on reagent molecule vibration.Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D- ＋ H2 and H- ＋ D2 is studied at a collision energy of 35.7 kcal/mol. Four generalized polarization-dependent differential cross sections （2π/σ） （dσ00/dωt）, （2π/σ） （dσ20/dσ20）, （27π/σ） （dσ22＋/dwt）, and （2π/σ）（dπ/σ） are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P（θr）, P（~r） and P（Oφ） of the title reactions are also analysed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j^1 sensitively depend on reagent molecule vibration.

关 键 词：quasi-classical trajectory generalized polarization dependent differential cross sections stereodynamics vector correlation 

分 类 号：O621.25[理学—有机化学]