Formation of hydroperoxyl radical

A detailed theoretical study of the branching reaction HO(v'=0) + O2(v') -> HO2 + O was performed by applying the quasiclassical trajectory technique and a single-valued double many-body expansion potential energy surface for the electronic ground state of HO3. Computations indicated that the reaction occurs for vibrational quantum numbers larger than v' = 13 over the whole range of translational energies. In most cases, no breaking of the HO bond occurs.