2026-08-14T11:21:19Zhttps://gredos.usal.es/oai/request

oai:gredos.usal.es:10366/1663602025-09-24T07:10:00Zcom_10366_138663com_10366_4512com_10366_3823col_10366_138665

Croft, James F. E. García Jambrina, Pablo Aoíz Moleres, Francisco Javier Guo, Hua Balakrishnan, Naduvalath 2023 [EN] The H2 + H2 system has long been considered a benchmark system for ro-vibrational energy transfer in bimolecular collisions. However, most studies thus far have focused on collisions involving H2 molecules in the ground vibrational level or in the first excited vibrational state. While H2 + H2/HD collisions have received wide attention due to the important role they play in astrophysics, D2 + D2 collisions have received much less attention. Recently, Zhou et al. [ Nat. Chem. 2022, 14, 658−663, DOI: 10.1038/s41557-022-00926-z] examined stereodynamic aspects of rotational energy transfer in collisions of two aligned D2 molecules prepared in the v = 2 vibrational level and j = 2 rotational level. Here, we report quantum calculations of rotational and vibrational energy transfer in collisions of two D2 molecules prepared in vibrational levels up to v = 2 and identify key resonance features that contribute to the angular distribution in the experimental results of Zhou et al. The quantum scattering calculations were performed in full dimensionality and using the rigid-rotor approximation using a recently developed highly accurate six-dimensional potential energy surface for the H4 system that allows descriptions of collisions involving highly vibrationally excited H2 and its isotopologues. application/pdf http://hdl.handle.net/10366/166360 eng ACS Publications Cold Collisions of Ro-Vibrationally Excited D2 Molecules info:eu-repo/semantics/article TEXT Gredos. Repositorio Documental de la Universidad de Salamanca Hispana