原子与分子物理学报2012，Vol.29Issue(2)：241-246,6.DOI:103969/j.issn.1000-0364.2012.02.010
H+CH→H2+C(1D)反应的立体动力学研究
Theoretical study of the stereo-dynamics of the reaction H+CH→H2 +C(1D)
摘要
Abstract
The vector correlations between products and reagents for the reactions H + C(ID)H-*-H2+C CD) at different collision energy have been studied by using the quasi—classical trajectories (QCT) on an ab initio potential energy surface of 1A'symmetry. Four polarization-dependent generalized differential cross-sections (PDDCSs) have been calculated in center-of-mass (CM) frame. The distribution P(0r) of the angle between Jk and j', the distribution P( ψr ) of dihedral angle denoting k — k' —j' correlation in the form of polar plots are calculated as well. The effect of deep well in potential surface and differ collision energies on the alignment and the orientation of product molecule H2 rotational angular momentum vectors j' is revealed.关键词
准经典轨线/矢量相关/立体动力学Key words
quasi-classical trajectories/vectors correlations/stereodynamics分类
数理科学引用本文复制引用
李兴..H+CH→H2+C(1D)反应的立体动力学研究[J].原子与分子物理学报,2012,29(2):241-246,6.基金项目
国家自然科学基金(20833008) （20833008）
