Modeling the F+H2S reaction with an F+HS potential

The F+H2S reaction is modeled by an F+HX three-center LEPS potential energy surface. Trajectory calculations carried out on this surface reproduced quite well the experimental results with regard to rate constants and energy distribution among the products, for the reactions F+H2S and F+D2S. This surface was also used for calculating the angular distribution of the products for various initial conditions. The results are presented and discussed.