Collinear hydrogen atom transfer probabilities, O+HBr→OH+Br

Abstract

Quantum mechanical calculations of a collinear model of the reaction O+HBr→OH+Br have been performed using a semiempirical potential energy surface. At thermal energies this simple model predicts OH to be produced in its ground state and first excited state with population ratios 0.4 to 0.6, giving a moderate inversion over a considerable range of reactant kinetic energy.