Detailed dynamics of bimolecular recombination of heavy atomic ions

We consider the main features of detailed dynamics of the bimolecular process of recombination of the atomic ion Cs + with the ions F – and I – via the ionic complex consisting of the Ar or Xe atom and the Cs + ion. Recombination was simulated within the framework of the quasiclassical trajectory me...

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Veröffentlicht in:Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali 2023-09, Vol.34 (3), p.967-981
Hauptverfasser: Akimov, Vyacheslav M., Azriel, Vladimir M., Ermolova, Ekaterina V., Kabanov, Dmitrii B., Kolesnikova, Lyubov’ I., Rusin, Lev Yu, Sevryuk, Mikhail B.
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Sprache:eng
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Zusammenfassung:We consider the main features of detailed dynamics of the bimolecular process of recombination of the atomic ion Cs + with the ions F – and I – via the ionic complex consisting of the Ar or Xe atom and the Cs + ion. Recombination was simulated within the framework of the quasiclassical trajectory method on the potential energy surfaces identical to the surfaces used earlier for studying the direct three-body recombination reactions involving the same particles. Eight kinematic parameters of bimolecular recombination are described. Of them, the main parameters are the collision energy and the impact parameter of a collision of the halide ion with the ionic complex. The results of visualization of eight trajectories corresponding to recombination are presented. The central stage of the recombination process (the energy transfer from the ion pair to the neutral atom and its detachment from the cesium ion with the formation of a stable cesium halide molecule) takes a small share of the trajectory length. Graphical Abstract
ISSN:2037-4631
1720-0776
DOI:10.1007/s12210-023-01182-0