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反应物NO的转动激发对反应N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P)影响的立体动力学研究
引用本文:马建军.反应物NO的转动激发对反应N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P)影响的立体动力学研究[J].物理学报,2013,62(2):23401-023401.
作者姓名:马建军
作者单位:安徽工业大学应用物理系
基金项目:国家自然科学基金(批准号:41075027)资助的课题~~
摘    要:采用准经典轨线方法,在碰撞能为0.6 eV时,研究了反应物NO分子的转动激发对发生在3A"和3A'势能面上的反应N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P)的立体动力学性质的影响. 详细讨论了在反应物分子的不同转动态下发生在两个势能面上反应的矢量性质. 结果表明, 反应物分子NO的转动激发对发生在3A′势能面上的立体动力学性质产生重大影响, 这可能与该势能面上存在一个早期势垒有关.

关 键 词:准经典轨线  矢量相关  N+NO  转动激发
收稿时间:2012-07-21

Effect of rotational excitation of NO on the stereodynamics for the reaction N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P)
Ma Jian-Jun.Effect of rotational excitation of NO on the stereodynamics for the reaction N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P)[J].Acta Physica Sinica,2013,62(2):23401-023401.
Authors:Ma Jian-Jun
Institution:Ma Jian-Jun ( Department of Applied Physics, Anhui University of Technology, Maanshan 243002, China )
Abstract:The stereodynamic properties of the reaction N(4S)+NO(X2Π)→N2(X3Σg-)+O(3P) in different initial reagent rotational states are studied theoretically by using the quasiclassical trajectory method on two lowest 3A" and 3A' potential energy surfaces at a collision energy of 0.6 eV. The vector properties of different rotational states on the two potential energy surfaces are discussed in detail. The results indicate that the rotational excitation of NO has a considerable influence on the stereodynamic property of reaction occurring on the 3A' potential energy surface, which can be ascribed to the early barrier on this potential energy surface.
Keywords:quasiclassical trajectory  vector correlations  N+NO  rotational excitation
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