Dynamics of a heavy ionic pair in a cavity with an elastic or inelastic boundary, crosspieces, and fixed charges of opposite sign

Abstract

Using the method of classical trajectories, we have simulated the motion of a pair of ions Cs+ and Cl− in ellipsoidal cavities containing neutral cylindrical “crosspieces” and charged spherical “nuclei” (both the signs and the absolute values of the charges of the nuclei were varied). Both elastic and inelastic encounters of the ions with the cavity boundary, crosspieces, and nuclei are considered. Most attention is paid to the statistics of the “captures” of trajectories by the nuclei (for elastic encounters of the ions with the obstacles) and to that of the “stickings” of the ions to the nuclei (for inelastic encounters), as well as to the statistics of the ion recombination events and the dissociation events of the corresponding molecule with an ionic bond. The dynamical consequences of nuclei shielding (i.e., a decrease in the absolute values of the nuclei charges) have been determined.