Quasi-Classical Trajectory Study on Ar+H2+/D2+/T2+ Reactions |
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作者姓名: | 刘会荣 刘新国 孙海竹 张庆刚 |
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作者单位: | College of Physics and Electronics, Shandong Normal University, Jinan 250014 |
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基金项目: | Supported by the National Nature Science Foundation of China under Grants Nos 10504017 and 10874104. |
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摘 要: | In order to explore the isotope effect on stereo dynamics, we investigate the trajectory calculations of Ar+H2+/D2+/T2+ and Ar+T2+ reactions on the ab initio potential energy surface constructed by us and calculate the distributions of product polarization P(θr), P(r) and four generalized polarization-dependent differential cross-sections. The product rotational alignment parameters (P2(j' · k)) for the title reactions are compared and discussed with mass factors. Furthermore, the angular distributions of the product rotational vectors in the form of polar plot in θr and r are presented. The results indicate that the stereo dynamics properties of the title reactions are sensitive to the mass factor.
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关 键 词: | 反应性能 H2 AR 弹道 轨迹计算 旋转矢量 同位素效应 势能表面 |
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