Coriolis coupling effects in quantum dynamics calculations of the reactions H + NT (a1Δ) and isotopic effect

The time-dependent wave packet method was used to investigate the dynamics of the H + NT (a 1 Δ) reaction and its isotopic variants based on the modified NH 2 ( A ~ 2 A 1 ) potential energy surface. The reaction probabilities, cross section, and rate constants were obtained for depletion and exchange channel of H + NT reaction using the Coriolis coupling (CC) method. The comparison of CC and centrifugal sudden (CS) results shows that the CC effect plays a significant role in the title reaction. The isotopic effect has been pointed out by comparing it with previous NH + H and ND + H results.