Abstract:
:Inelastic collisions involving molecular species are key to energy transfer in gaseous environments. They are commonly governed by an energy gap law, which dictates that transitions are dominated by those between initial and final states with roughly the same ro-vibrational energy. Transitions involving rotational inelasticity are often further constrained by the rotational angular momentum. Here, we demonstrate using full-dimensional quantum scattering on an ab initio based global potential energy surface (PES) that HF-HF inelastic collisions do not obey the energy and angular momentum gap laws. Detailed analyses attribute the failure of gap laws to the exceedingly strong intermolecular interaction. On the other hand, vibrational state-resolved rate coefficients are in good agreement with existing experimental results, validating the accuracy of the PES. These new and surprising results are expected to extend our understanding of energy transfer and provide a quantitative basis for numerical simulations of hydrogen fluoride chemical lasers.
journal_name
Nat Communjournal_title
Nature communicationsauthors
Yang D,Huang J,Hu X,Guo H,Xie Ddoi
10.1038/s41467-019-12691-8subject
Has Abstractpub_date
2019-10-11 00:00:00pages
4658issue
1issn
2041-1723pii
10.1038/s41467-019-12691-8journal_volume
10pub_type
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