The Existence Regions for Direct Three-Body Recombination of Cesium and Bromide Ions in the Presence of Krypton, Xenon, and Mercury Atoms

Within the framework of the quasiclassical trajectory method on semiempirical diabatic potential energy surfaces, we have considered the existence regions for direct three-body recombination Cs + + Br – + R → CsBr + R (R = Kr, Xe, Hg) in the case where the encounters of the Cs + and Br – ions are ce...

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Bibliographic Details
Published in:Russian journal of physical chemistry. B 2023-12, Vol.17 (6), p.1270-1284
Main Authors: Azriel’, V. M., Akimov, V. M., Ermolova, E. V., Kabanov, D. B., Kolesnikova, L. I., Rusin, L. Yu, Sevryuk, M. B.
Format: Article
Language:English
Subjects:
Catalysis
Cesium
Cesium bromides
Chemistry
Chemistry and Materials Science
Collision dynamics
Kinetics and Mechanism of Chemical Reactions
Krypton
Mathematical analysis
Physical Chemistry
Potential energy
Xenon
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Summary:Within the framework of the quasiclassical trajectory method on semiempirical diabatic potential energy surfaces, we have considered the existence regions for direct three-body recombination Cs + + Br – + R → CsBr + R (R = Kr, Xe, Hg) in the case where the encounters of the Cs + and Br – ions are central and the delay parameter vanishes. The recombination regions are determined using a much more precise procedure than in the previous works. Particular attention is paid to the recombination opacity functions and to the role of the orientation angles in the outcome of a three-body collision. The performed calculations demonstrate a great complexity of the structure of the recombination regions.
ISSN:1990-7931
1990-7923
DOI:10.1134/S1990793123060155