低碰撞能和同位素变化对Li+DF/TF→LiF+D/T反应立体动力学的影响

X. Zhuang, Ju‐Beom Song, Luyan Sun, Tiantian Wang, Xinguo Liu
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引用次数: 0

摘要

基于Aguado和Paniaga构建的新势能面,采用准经典轨迹法研究了Li+DF/TF→LiF+D/T反应的立体动力学。化学。物理学报,2003,19(3):1088。计算并讨论了反映矢量相关性的和的积角分布。平均旋转对准因子< >是碰撞能量的函数。此外,还计算了PDDCS00、PDDCS20、pddcs21和PDDCS22+四个偏振相关微分截面(pddcs)。通过对比标题反应的立体动力学结果,我们发现同位素效应是比较明显的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Influences of the low collision energies and isotopic variants on the stereodynamics for reactions Li+DF/TF→LiF+D/T
Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of and , which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor 〈 〉 as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, PDDCS00, PDDCS20, PDDCS21and PDDCS22+ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.
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来源期刊
Journal of Atomic and Molecular Sciences
Journal of Atomic and Molecular Sciences PHYSICS, ATOMIC, MOLECULAR & CHEMICAL-
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