Quantum state-to-state dynamics for the quenching process of Br(2P1/2) + H2(vi=0, 1, ji=0)

Quantum state-to-state dynamics for the quenching process Br(P-2(1/2)) + H-2(v(i) = 0, 1, j(i) = 0) -> Br(P-2(3/2)) + H-2(v(f), j(f)) has been studied based on two-state model on the recent coupled potential energy surfaces. It was found that the quenching probabilities have some oscillatory structures due to the interference of reflected flux in the Br(P-2(1/2)) + H-2 and Br(P-2(3/2)) + H-2 channels by repulsive potential in the near-resonant electronic-to-vibrational energy transfer process. The final vibrational state resolved integral cross sections were found to be dominated by the quenching process Br(P-2(1/2)) + H-2(nu) -> Br(P-2(3/2)) + H-2(nu+1) and the nonadiabatic reaction probabilities for Br(P-2(1/2)) + H-2(nu = 0, 1, j(i) = 0) are quite small, which are consistent with previous theoretical and experimental results. Our calculated total quenching rate constant for Br(P-2(1/2)) + H-2(nu(i) = 0, j(i) = 0) at room temperature is in good agreement with the available experimental data. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3694012]