Dynamics of Direct Three-Body Recombination of Cesium and Fluoride Ions As Well As of Cesium and Iodide Ions in the Presence of a Krypton Atom.

Within the framework of the quasiclassical trajectory method and using semiempirical diabatic potential energy surfaces, we have studied statistical dynamics of two reactions of direct three-body recombination, Cs⁺ + X^– + Kr → CsX + Kr (X^– = F^–, I^–), with non-central encounters of the ions. The collision energies range between 1 and 10 eV, while the so-called delay parameter, which characterizes the delay in the arrival of the krypton atom with respect to the time instant when the distance between the recombining cesium and halide ions attains its minimum, is equal to 0 or 0.2. We have found the excitation functions of recombination, the opacity functions, the vibrational energy distributions of the CsX product (which turn out to be strongly non-equilibrium), and the CsX rotational energy distributions (which are almost equilibrium). A comparison with the calculation results for the reactions Cs⁺ + X^– + Ar and Cs⁺ + X^– + Xe published earlier shows that, on the whole, for both the recombining ion pairs Cs⁺ + F^– and Cs⁺ + I^–, the heavier the third body, the more effective it is as an acceptor of excess energy of the ion pair. [ABSTRACT FROM AUTHOR]