He+H_2^+(HD^+,DH^+)反应的立体动力学研究

The Stereodynamics Study on the Reactions of He+H_2^+(HD^+,DH^+)

利用准经典轨线方法研究了He+H2+及其同位素取代反应的立体动力学性质,讨论了k,k′以及j′三个矢量之间的矢量相关.计算结果表明,反应的产物分子趋向于向前散射,并且产物的转动角动量不仅定向而且有较强的取向.

The stereodynamics properties of He+H2+ reaction and the isotopic variant reactions are calculated by means of the quasi-classical trajectory(QCT) method.The k-k′-j′ vector correlations of the title reactions are discussed.The calculated results show that the product molecule tends to the forward scattering for the title reactions and the rotational angular momentum j′ of the product molecule presents not only the orientation but also the remarkable alignment.