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Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy
Ying Shi*1, Ting-xian Xie2, Ming-xing Jin1
1.Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;2.Dalian Jiaotong University School of Science, Dalian 116028, China
Abstract:
Quasi-classical trajectory calculations have been employed to investigate the influence of collision energy on the stereodynamics of the title reaction C+CD→C2+D on the poten-tial energy surface of the 12A' state developed by Boggio-Pasqua et al. [Mol. Phys. 98, 1925 (2000)]. The product angular distributions which reflect the vector correlation have been calculated. In addition, two polarization-dependent different cross-sections are also presented in the center-of-mass frame respectively. The results indicate that the product C2 is sensitively affected by collision energy.
Key words:  Quasi-classical trajectory, Stereodynamics calculation, Polarization depen-dent generalized differential cross-section, Stereodynamics
FundProject:
采用准经典轨迹的方法研究碰撞能对C+CD→C2+D反应的影响
石英*1, 解廷献2, 金明星1
1.吉林大学原子与分子物理研究所,长春130012;2.大连交通大学数理系,大连1160
摘要:
运用准经典轨线方法,基于1A'势能面[Mol. Phys. 98, 1925(2000)],从理论上研究了碰撞能对C+CD→C2+D反应的立体动力学性质的影响.计算并且详细讨论了与产物矢量相关的三个极化分布函数P(θr), P(φr)和P(θr,φr).此外,在质心坐标系中,研究了碰撞能对两个极化微分反应截面的影响.结果表明,产物C2的立体动力学性质对反应物分子的碰撞能非常敏感.
关键词:  准经典轨迹,极化微分反应截面,立体动力学
DOI:10.1088/1674-0068/24/04/373-377
分类号: