反应物NO的转动激发对反应N(~4S)+NO(X^2Π)→N_2(X^3Σ_g^-)+O(~3P)影响的立体动力学研究  

Effect of rotational excitation of NO on the stereodynamics for the reaction N(~4S)+NO(X^2Π)→N_2(X^3Σ_g^-)+O(~3P)

作　　者：马建军[1] 

机构地区：[1]安徽工业大学应用物理系,马鞍山243002

出　　处：《物理学报》2013年第2期185-190,共6页Acta Physica Sinica

基　　金：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0.6eV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(X^2Π)→N_2(X^3Σ_g^-)+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.The stereodynamic properties of the reaction N（4^S）＋NO（X^2Π）→N2（X^3Σg-）＋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.

关 键 词：准经典轨线 矢量相关 N+NO 转动激发 

分 类 号：O643.12[理学—物理化学]