| The reagent vibrational excitation effect on the stereodynamics of the reaction O(~1D)+HBr→OH+Br |
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| 引用本文： | 张莹莹,石英,解廷献,金明星,胡湛.The reagent vibrational excitation effect on the stereodynamics of the reaction O(~1D)+HBr→OH+Br[J].中国物理 B,2013(8):394-398. |
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| 作者姓名： | 张莹莹 石英 解廷献 金明星 胡湛 |
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| 作者单位： | [1]Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China [2]Department of Physics, Dalian Jiaotong University, Dalian 116028, China |
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| 基金项目： | Project supported by the Natural Science Fund from Jilin University, China （Grant No. 419080106440）, the Chinese National Fusion Project for ITER （Grant No. 2010GB 104003）, and the National Natural Science Foundation of China （Grant No. 10974069）. |
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| 摘 要： | Calculations on the dynamics of the reaction O( 1 D) + HBr → OH + Br are performed on the ab initio potential energy surfaces (PESs) of the ground state given by Peterson Peterson K A J. Chem. Phys. 113 4598 (2000)using the quasiclassical trajectory (QCT) method. The product distribution of the dihedral angle, P (φ r ), and that of the angle between and , P (θ r ), are presented in three dimensions. Moreover, we also investigate the reagent vibrational excitation effects on the two polarization-dependent generalized differential cross sections (PDDCS), PDDCS 00 and PDDCS 20 , in the center-of-mass frame. The results indicate that the vector properties are sensitive to the reagent vibrational quantum number.
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| 关 键 词： | 振动量子数 激发反应 试剂 立体效果 动态反应 经典轨迹 微分截面 偏振相关 |
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