Quantum dynamics of the S plus OH → SO plus H reaction

First accurate quantum mechanical scattering calculations have been carried out for the S((3)P) + OH(X (2)Pi) -> SO(X (3)Sigma(-)) + H((2)S) reaction using a recent ab initio potential energy surface for the ground electronic state, X (2)A '', of HSO. Total and state-to-state reaction probabilities for a total angular momentum J = 0 have been determined for collision energies up to 0.5 eV. A rate constant has been calculated by means of the J-shifting approach in the 10-400 K temperature range. Vibrational and rotational product distributions show no specific behavior and are consistent with a mixture of direct and indirect reaction mechanisms. (C) 2010 American Institute of Physics. [doi:10.1063/1.3503502]