运用准经典轨线方法,基于RODRIGO势能面,对碰撞能为192.97 kJ/mol时,O++DH反应的立体动力学性质进行了理论研究,对k-j',k-k'两矢量相关和k-k'-j'三矢量相关的分布函数、反应几率、反应截面,以及产物转动取向参数进行了详细的讨论.结果表明,反应物的振动量子数对o++DH (v=0,1,2,3,j=0)→0D++H反应产生了较大的影响.%The dynamic stereochemistry of the O++DH (v=0, 1, 2, 3, j=0)→OD++H reactions were studied using the quasi-classical trajectory (QCT) method on RODRIGO surface.Results indicate that the reagent's vibrational excitation has a considerable influence on the distribution of the k-j', k-k' correlation and the k-k'-j' correlation.In addition, reaction probability and reaction cross section were found to be sensitive to the vibrational quantum number.
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