Track papers across labs, topics, and trends.
Search papers, labs, and topics across Lattice.
This study investigates the transcomplex recombination of heavy ions, specifically the reaction RCs$^+$ + Br$^-$ leading to CsBr and various noble gases, across a range of collision energies from 0.1 to 2.5 eV. Utilizing the quasiclassical trajectory method on semiempirical diabatic potential energy surfaces, the authors identify and analyze two-dimensional existence regions for recombination, revealing complex and sometimes chaotic structures in these regions. A novel measure of chaoticity is introduced alongside a surroundings index, linking trajectory integration time and the internal energy of the CsBr product, providing new insights into the dynamics of ion recombination processes.
Chaotic structures in the recombination regions of heavy ions reveal unexpected complexity in ion-molecule interactions.
In this paper, we examine transcomplex recombination RCs$^+$ + Br$^-$ $\to$ 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.