Nonadiabatic Effects in the H + LiD(ν = 0, j = 0) → Li(2s) + HD Reaction Near Cold Collisions
Open Access
- 4 February 2025
- journal article
- Published by American Chemical Society (ACS) in ACS Omega
- Vol. 10 (6) , 5934-5942
Abstract
Nonadiabatic dynamic study of the H + LiD(ν = 0, j = 0) → Li(2s) + HD reaction is carried out using the time-dependent wave packet method in a collision energy range of 1-80 cm-1. The total integral cross section exhibits a partial wave resonance near 2 cm-1, corresponding to the opening of the J = 5 partial wave. The nonadiabatic coupling effects inhibit the reactivity, especially for the low-vibrational states. The rotational excitation of products is affected by nonadiabatic coupling effects. The maximum accessible rotational state of the products is higher when nonadiabatic effects are included than when they are omitted. At low collision energies, the product angular distributions are influenced by the resonances. Nonadiabatic results reveal a more pronounced backward scattering of the products than adiabatic results. As collision energy increases, the stripping mechanism gradually becomes dominant, and both adiabatic and nonadiabatic results exhibit significant forward-scattering characteristics.Keywords
Funding Information
- National Natural Science Foundation of China (12404301)
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