The Dynamics of the S(1D)+H2/D2 Reactions at Low Temperature via Statistical Simulations
Keywords:Reactive scattering, atom-diatom reactions, Statistical methods, Reaction dynamics
Two different statistical approaches, the statistical quantum model (SQM) and the mean potential phase space theory (MPPST), have been employed to calculate the integral cross sections for the reactive collisions between S(1D) and H2/ D2 in the low energy regime (below 0.3 eV collisional energy). The rate constant for the S(1D) + H2 → SH + H reaction has been also obtained and compared with previously reported experimental and theoretical results. The good agreement shows the capability of these two methods to study the dynamics of these complex-forming atom-diatom processes in the present energy regime.