Collision-Induced Electronic Transfer in Diatomic Molecules

Paul Dagdigian教授和Millard Alexander教授（马里兰大学）获得了实验物理化学计划的资助，研究双原子分子中的电和旋转非弹性碰撞。这些测量将使我们对在非常简单的系统中控制化学反应的基本过程获得有价值的见解，这些系统模拟了在更复杂的分子中发现的难题。这笔拨款包括来自实验（Dagdigian）和理论（Alexander）的成分，用于CN、OH、NH和非常困难的H + C2反应体系等分子实体。实验部分将包括在交叉分子束和使用放电-流动系统的光学-光学双共振（OODR）研究中测量状态分辨非弹性截面。前者将研究冷自由基束的碰撞激发。理论部分将包括从头开始确定三原子和四原子系统的地面和低洼电子激发态的精确势能面，以及基于这些势能面的量子散射研究。特别注意将致力于确定关键的非绝热耦合矩阵元素。

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.