Mechanism of the C(3P)+H2S reaction

The mechanisms of the C(P-3) + H2S --> HCS + H and C(P-3) + H2S --> HSC + H reactions have been studied at the UMP2/6-31C(d, p), UMP2/6-311G(d, p), and G2 levels, and six transition states and three intermediates have been located along the reaction paths. The predicted path for the C(P-3) + H2S --> HCS + H reaction is: C (P-3) + H2S --> IM1 --> TS1 --> IM2 --> TS4 --> HCS + H, in line with the reaction process suggested by Lee et al. ([1]) in which only the intermediates were given, Our energetic results indicate that the C(P-3) + H2S --> HCS + H reaction is more favorable than the C(P-3) + H2S --> HSC + H reaction, in agreement with experiment.