Cold Collisions of Ro-Vibrationally Excited D₂ Molecules

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.