Electronic-to-rotational energy transfer in molecular collisions

A quantum mechanical study of collision induced electronic-to-rotational energy transfer in the fluorine-para-hydrogen system (F+H2) is reported. The three potential energy surfaces of the system, constrained to lie in a fixed plane, are obtained by the diatomics-in-molecules approach, and close-coupling calculations are performed in a diabatic representation. An enhancement of rotationally inelastic (compared to rotationally elastic) transitions is observed when fluorine makes a transition from its upper to its lower spin-orbit state. (Auth.)