Quasi‐Classical Trajectory Studies of H + HX → H2 + X (X = Cl, Br, I) Reaction at High Collision Energy

Abstract Quasi‐classical trajectory calculations have been performed to investigate the dynamics of the H + HX → H 2 + X reactions, where X = Cl, Br, and I. Calculations were performed for two collision energies, 16 and 36 kcal mol −1 . The results show that the dynamics of the abstraction reactions at these high collision energies are rather unusual. The product energy and angular distributions can be accounted for by a mechanism that involves an isolated interaction between the two H atoms in the system to form H 2 followed by hard‐sphere scattering of this newly formed H 2 off the X atom.