Ion-atom-atom three-body recombination: From the cold to the thermal regime

We present a study on ion–atom–atom reaction A + A + B+ in a wide range of systems and collision energies ranging from 100 μK to 105 K, analyzing two possible products: molecules and molecular ions. The dynamics is performed via a direct three-body formalism based on a classical trajectory method in...

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Bibliographic Details
Published in:The Journal of chemical physics 2023-01, Vol.158 (2), p.024103-024103
Main Authors: Mirahmadi, Marjan, Pérez-Ríos, Jesús
Format: Article
Language:English
Subjects:
Energy of dissociation
Free energy
Heat of formation
Molecular ions
Reaction products
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Summary:We present a study on ion–atom–atom reaction A + A + B+ in a wide range of systems and collision energies ranging from 100 μK to 105 K, analyzing two possible products: molecules and molecular ions. The dynamics is performed via a direct three-body formalism based on a classical trajectory method in hyperspherical coordinates developed in Pérez-Ríos et al. [J. Chem. Phys. 140, 044307 (2014)]. Our chief finding is that the dissociation energy of the molecular ion product acts as a threshold energy, separating the low- and high-energy regimes. In the low-energy regime, the long-range tail of the three-body potential dictates the fate of the reaction and the main reaction product. On the contrary, in the high-energy regime, the short-range of atom–atom and atom–ion interaction potential dominate the dynamics, enhancing molecular formation.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0134132