Mechanism of the direct three-body recombination of atomic ions in a central collision

• Published in: Russian journal of physical chemistry. B 2012-07, Vol.6 (4), p.475-485
• Main Authors: Kabanov, D. B., Rusin, L. Yu
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Kinetics and Mechanism of Chemical Reactions. Catalysis; Physical Chemistry
• ISSN: 1990-7931; 1990-7923
• DOI: 10.1134/S1990793112040033

The detailed dynamics of direct three-body recombination of the Cs + and Br − heavy ions in the presence of the Xe atom as a third body is studied by the quasiclassical trajectory method. A potential energy surface that quantitatively correctly describes the dynamics of the reverse process of ion formation induced by collisions of CsBr with Xe is used. Depending on the impact parameter of the third body, the stabilization of the product molecule proceeds by several different mechanisms. At impact parameters of b R ≤ 7 au, the stabilization of the nascent molecule is largely controlled the repulsion potential between one of the ions or both the ions and the third body. The energy transferred to the third body does not depend directly on the repulsive potential energy between the ion and the third body. The phase of collision of the ions at the instant of closest approach plays a key role in the process of energy transfer. For collinear collision configurations of the three particles, the ion-Xe shallow potential wells are demonstrated to produce a noticeable effect.