Abstract
This work presents a time-dependent wave packet investigation for the reaction N(2D) + H2(X1Σ+ g) based on the new potential energy surface [Y. Q. Li and A. J. C. Varandas 2010 J. Phys. Chem. A 114 9644] of NH2(12A′) for the first time. The probability of reaction at the total angular momentum J = 0, 8, 16, 24, 30 and 45 are calculated as a function of collision energies with the range from 0.1 to 1.2 eV. The integral cross section obtained by Coriolis coupling is larger than the given by centrifugal sudden approximation, which shows that Coriolis coupling in this reaction cannot be ignored. Furthermore, the difference among the j-dependent integral cross sections indicates that N2 rotation promotes the reaction.
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