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Influence of Vibrational Excitation on Stereodynamics for O(3P)+D2→OD+D Reaction
刘世莉,石英*
Author NameAffiliationE-mail
刘世莉 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China  
石英* Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China shi_ying@jlu.edu.cn 
Abstract:
Theoretical investigations on the stereodynamics of the O(3P)+D2 reaction have been calcu-lated by means of the quasi-classical trajectory to study the product rotational polarization at collision energy of 104.5 kJ/mol on the potential energy surface of the ground 3A" triplet state. The vector properties including angular momentum alignment distributions and four polarization dependent generalized differential cross-sections of product have been presented. Furthermore, the influence of reagent vibrational excitation on the product vector properties has also been studied. The results indicate that the vector properties are sensitively affected by reagent vibrational excitation.
Key words:  Vector correlation, Quasi-classical trajectory, Polarization dependent gener-alized differential cross-section, Stereodynamics
FundProject:
反应物振动激发对O(3P)+D2→OD+D立体动力学的影响
Shi-li Liu,Ying Shi*
摘要:
运用准经典轨线方法,基于Roger的3A"势能面,在碰撞能为104.5 kJ/mol时对O(3P)+D2反应的立体动力学性质进行了理论研究. 详细讨论与产物矢量相关的的极化分布函数以及四个极化微分反应截面进行了. 结果表明,产物OD的立体动力学性质对反应物分子H2
关键词:  矢量相关,准经典轨线,极化微分反应截面,立体动力学
DOI:10.1088/1674-0068/23/06/649-654
分类号: