A potential energy function for the hydroperoxyl radical

A switching function formalism is used to derive an analytic potential energy surface for the O + OH ⇄ HO₂ ⇄ H + O₂ reactive system. Both experimental and ab initio data are used to derive parameters for the potential energy surface. Trajectory calculations for highly excited HO₂ are performed on this surface. From these trajectories quasi-periodic eigentrajectories are found for vibrational levels near the HO₂ dissociation threshold with small amounts of quanta in the OH stretch mode and large amounts of quanta in the OO stretch mode.