Vibrational structure and predissociation rates of the He-O2 vander Waals complex

Abstract

Using the recently reported full ab initio potential energy surface, the vibrational structure and predissociation dynamics of the He-O2 van der Waals complex are theoretically investigated. Once the He-O2 is in a vibrationally excited state, for instance, by infrared radiation, even the one quantum deactivation in vibrational motion releases an energy exceeding the van der Waals bond energy between He and O2 to break the bond. This vibrational predissociation phenomenon is theoretically investigated using a relative new and simple quantal method. The bound vibrational structure of the He-O2 complex, the predissociation rates for various vibrational levels, and the rotational distributions of the product O2, etc. are all predicted. Discussions are focused on the nature of the proposed theoretical method.