Work

The Existence Regions for Transcomplex Recombination of Heavy Ions. Two-Dimensional Recombination Regions and Surroundings Indices

Year: 2026

Type: article

Abstract: In this paper, we examine transcomplex recombination RCs+ + Br– → CsBr + R (R = Kr, Xe, Hg) for collision energies from 0.1 to 2.5 eV. Within the framework of the quasiclassical trajectory method on semiempirical diabatic potential energy surfaces, we have considered the existence regions for recombination in the space of kinematic parameters. Two-dimensional “slices” of the existence regions for recombination (on the sphere where the coordinates are the orientation angles of the initial direction of the axis of the ionic complex RCs+) sometimes exhibit a chaotic structure. We have proposed a quantitative measure of chaoticity of two-dimensional existence regions for recombination (on the basis of the combinatorics of matrices of zeros and ones) and have presented examples of chaotic regions. We have introduced the surroundings index of recombinative trajectories and have explored its connection with the integration time of the trajectory and with the total internal energy of the product molecule CsBr.

Source: Russian Journal of Physical Chemistry B

DOI: 10.1134/s1990793125701386