Time-dependent quantum dynamical study of C(1D) + H2 ? CH + H and S(1D) + H2 ? SH + H reactive collisions

Abstract

A time-dependent method is used to calculate reaction probabilities for J = 0 for C(1D) + H2 (v = 0, j = 0) → CH(v′, j′) + H and S(1D) + H2 (v = 0, j = 0) → SH (v′, j′) + H indirect reactive collisions. The state-to-state probabilities are dominated by a strong resonance structure associated with the formation of a long-lived triatomic complex during the collision. We compare our results with those obtained using a time-independent hyperspherical coordinates method. The agreement is very good: in particular, the narrow resonances obtained with the wave packet method correspond exactly to those of the time-independent results.