2025/04/14 by Rian Koots, Koots, Rian, G. Ding +3
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic Physics (physics.atom-ph) #Atomic and Molecular Clusters (physics.atm-clus) #Chemical Physics (physics.chem-ph) #Crystallography and molecular interactions #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.2504.10627
openalex publication_date 2025/04/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The recombination of halogen atoms has been a research topic in chemical physics for over a century. All theoretical descriptions of atom recombination depend on a two-step assumption, where two colliding atoms first form an unstable complex before a third colliding body either relaxes or reacts with it to yield a diatomic molecule. These mechanisms have served well in describing some of the dynamics of atom recombination, but have not yet provided a full theoretical understanding. In this work, we consider the role of the direct three-body recombination mechanism in halogen recombination reactions X + X + M → X2 + M, where X is a halogen atom, and M is a rare gas atom. Our results agree well with experimental bromide and iodine recombination measurements, demonstrating that direct three-body recombination is essential in halogen recombination reactions.