Influence of the reagent vibration on the stereo-dynamics of the reactions D- + H2 and H- + D2 |
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| Authors: | Chen Xiao-Qiong Wang Mei-Shan Yang Chuan-Lu Wu Ji-Cheng |
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| Affiliation: | School of Physics, Key Laboratory of Atomic and Molecular Physics of Shandong Province, Ludong University, Yantai 264025, China;School of Physics, Key Laboratory of Atomic and Molecular Physics of Shandong Province, Ludong University, Yantai 264025, China;School of Physics, Key Laboratory of Atomic and Molecular Physics of Shandong Province, Ludong University, Yantai 264025, China;School of Physics, Key Laboratory of Atomic and Molecular Physics of Shandong Province, Ludong University, Yantai 264025, China |
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| 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 (2π/σ)(dσ00/dωt),(2π/σ)(dσ20/dωt),(2π/σ)(dσ22/dωt), and (2π/σ)(dσ20/dωt) are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P(θr), P(φr) and P(θr,φr) 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. |
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| Keywords: | quasi-classical trajectory generalized polarization dependent differential cross sections stereodynamics vector correlation |
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