| Quasi-classical trajectory study of the stereodynamics of a Ne+H2+→NeH++H reaction |
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| 引用本文： | 葛美华,郑雨军.Quasi-classical trajectory study of the stereodynamics of a Ne+H2+→NeH++H reaction[J].中国物理 B,2011,20(8):83401-083401. |
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| 作者姓名： | 葛美华 郑雨军 |
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| 作者单位： | School of Physics, Shandong University, Jinan 250100, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No. 21073110) and the Independent Innovation
Foundation of Shandong University of China (Grant No. 10000059614011). |
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| 摘 要： | We have carried out a quasi-classical trajectory calculation for the reaction of Ne + H2+ (v=0, j=1) → NeH+ + H on the ground state (12A') using the LZHH potential energy surface constructed by Lü et al. Lü S J, Zhang P Y, Han K L and He G Z 2010 J. Chem. Phys. 132 014303]. Differential cross sections at many collision energies indicate that the reaction is dominated by forward-scattering. In addition, the NeH+ product shows rotationally hot and vibrationally cold distributions. Stereodynamical results indicate that the products are strongly polarized in the direction perpendicular to the scattering plane and that the products rotate mainly in planes parallel to the scattering plane.
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| 关 键 词： | quasi-classical trajectory stereodynamics product vibrational distribution product ro-tational distribution |
| 收稿时间： | 2011-02-19 |
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