Influence of the reagent vibration on the stereo-dynamics of the reactions D- + H2 and H- + D2

doi:10.1088/1674-1056/21/2/023402

中国物理B ›› 2012, Vol. 21 ›› Issue (2): 23402-023402.doi: 10.1088/1674-1056/21/2/023402

陈肖琼,王美山,杨传路,吴继成

收稿日期:2010-12-18 修回日期:2011-09-05 出版日期:2012-01-30 发布日期:2012-01-30
通讯作者: 王美山,mswang1971@163.com E-mail:mswang1971@163.com

Influence of the reagent vibration on the stereo-dynamics of the reactions D^- + H₂ and H^- + D₂

Chen Xiao-Qiong(陈肖琼), Wang Mei-Shan(王美山)^†, Yang Chuan-Lu(杨传路), and Wu Ji-Cheng(吴继成)

School of Physics, Key Laboratory of Atomic and Molecular Physics of Shandong Province, Ludong University, Yantai 264025, China

Received:2010-12-18 Revised:2011-09-05 Online:2012-01-30 Published:2012-01-30
Contact: Wang Mei-Shan,mswang1971@163.com E-mail:mswang1971@163.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11074103) and the Discipline Construction Fund of Ludong University, China.

摘要/Abstract

Abstract: 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 (2$\pi$/σ)(dσ₀₀/dω_t),(2$\pi$/σ)(dσ₂₀/dω_t),(2$\pi$/σ)(dσ₂₂/dω_t), and (2$\pi$/σ)(dσ₂₀/dω_t) are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P(θ_r), P($\phi$_r) and P(θ_r,$\phi$_r) 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' sensitively depend on reagent molecule vibration.

Key words: quasi-classical trajectory, generalized polarization dependent differential cross sections, stereodynamics, vector correlation

中图分类号: (Chemical reactions)

34.50.Lf

陈肖琼, 王美山, 杨传路, 吴继成. [J]. 中国物理B, 2012, 21(2): 23402-023402.

Chen Xiao-Qiong(陈肖琼), Wang Mei-Shan(王美山), Yang Chuan-Lu(杨传路), and Wu Ji-Cheng(吴继成) % . Influence of the reagent vibration on the stereo-dynamics of the reactions D^- + H₂ and H^- + D₂[J]. Chin. Phys. B, 2012, 21(2): 23402-023402.

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Influence of the reagent vibration on the stereo-dynamics of the reactions D^- + H₂ and H^- + D₂

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