反应物转动激发对反应H+HeH^+→H_2^++He立体动力学性质的影响

Effects of Reagent Rotational Excitation on the Stereo Dynamics of the Reaction H+HeH^+→H_2^++He

基于Ramachandran势能面,运用准经典轨线方法,研究了反应物转动激发对反应H+HeH+→H2++He立体动力学性质的影响。结果表明,反应物转动激发对反应的k-j′两矢量相关和k-k′-j′三矢量相关分布都产生了较大影响。产物分子H2+的转动极化在不同的转动激发态下呈现出不同的特征,而且极化微分反应截面对转动量子数j也非常敏感。

We employ quasi-classical trajectory（QCT） to investigate the effects of reagent rotational excitation on the stereo dynamics of the reaction H＋HeH＋→H＋2＋He on the potential energy surface of Ramachandran.We also calculate the distributions of P（θr）（correlation of two vectors k-j′） and P（φr）（correlation of three vectors k-k′-j′）.Results indicate that reagent rotational excitation has a considerable influence on the distribution of k-j′ correlation and k-k′-j′ correlation.Rotational polarization of product H＋2 shows different characters for different rotational excitation and its polarization dependent differential cross sections（PDDCSs） are quite sensitive to its rotational quantum number j.Moreover,reagent rotational excitation has little influence on the cross-sections.