Collision-Induced Electronic Transfer in Diatomic Molecules

Paul Dagdigian教授和Millard亚历山大教授（美国）的 马里兰州）得到了实验基金会的资助。 物理化学课程，研究电气和旋转 双原子分子的非弹性碰撞。这些测量 将使我们获得宝贵的洞察力的基本 在非常简单的系统中控制化学反应的过程 模拟了在更复杂的 分子。 该补助金包含两个实验的组成部分（Dagdigian） 和理论（亚历山大）为这样的分子实体CN，OH， NH和非常困难的H + C2反应体系。的 实验部分将涉及测量 状态分辨非弹性截面 光-光双共振（OODR） 使用放电流系统的研究。在前者中， 冷自由基束的碰撞激发将是 研究了理论部分将涉及 精确势能面的从头算确定 对于基态和低电子激发态， 三原子和四原子系统以及量子散射 基于这些潜在表面的研究。特别注意 将致力于确定关键的 非绝热耦合矩阵元。

Prof. Paul Dagdigian and Prof. Millard Alexander (U. of Maryland) are supported by a grant from The Experimental Physical Chemistry Program to study electrical and rotational inelastic collisions in diatomic molecules. These measurements will allow us to obtain valuable insight into the fundamental processes that govern chemical reactions in very simple systems that model the difficult problems found in more complex molecules. The grant contains components from both experiment (Dagdigian) and theory (Alexander) for such molecular entities as CN, OH, NH and the very difficult H + C2 reactive system. The experimental component will involve the measurement of state-resolved inelastic cross sections both in crossed molecular beam and in optical-optical double resonance (OODR) studies using a discharge-flow system. In the former, collsional excitation of cold free radical beams will be investigated. The theoretical component will involve both the ab initio determination of accurate potential energy surfaces for the ground and low-lying electronically excited states of three and four atom systems as well as quantum scattering studies based on these potential surfaces. Particular attention will be devoted to the determination of the crucial non-adiabatic coupling matrix elements.