Collision-Induced Electronic Transfer in Diatomic Molecules

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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.