Effects of rovibrational excitation of LiH on the LiH depletion and H exchange channels for the reaction H (S-2) + LiH (X-1 Sigma(+)) on a new potential energy surface

摘要

The quasiclassical trajectory method is used to calculate the dynamics of the reaction H + LiH for both reaction channels. The initial state-selected and energy-resolved integral cross-sections, differential cross-sections, and state distributions of the products are investigated in the collision energy range 0.02-0.56 eV. Results show that both vibrational and rotational excitations reduce the reactivity of the LiH depletion (R1) channel but promote that of the H exchange (R2) channel. Forward scattering is prominent in the R1 channel, but backscattering is slightly favored in the R2 channel. The influence of vibrational excitation is reduced M higher energies.