VIBRATIONAL SPLITTINGS FOR HYDROGEN-ATOM EXCHANGE IN HO2 - THE EFFECT OF O-O DISPLACEMENT AND VIBRATION

Using a global potential energy surface for HO2, we calculate vibrational levels up to and slightly above the energy corresponding to the potential barrier for hydrogen atom exchange for both the two-mode (excluding the O-O vibration) and three-mode (including all three vibrations) cases. We examine the vibrational splittings for hydrogen atom exchange as a function of the energy; for the two-mode calculations we consider the effect on these splittings of O-O displacement while for the three-mode calculations we consider the effect of O-O vibration.