Current Density Investigation of Tunneling in Photodissociation Resonances:CH3ONO

摘要

The application is described of our recently developed current density analysisof photodissociation to the methyl nitrite (CH3ONO) system. The spectrum exhibits a series of vibrational resonances, or predissociating states, arising from a local minimum in the excited state potential surface. The degree to which tunneling through the barrier plays a role in their dissociation is investigated by means of the current density at the transition state and a simple semi-classical quantization model. For vibrationally excited resonances, current density maps are considerably complicated by the presence of vortices. jg.