Quasiclassical trajectory simulations of collisional vibrationally excited HgBr(B-2 Sigma). II. Dependence on rotational excitation

摘要

The collisional deactivation of HgBr(B (2) Sigma) by different inert gases has been studied using quasiclassical trajectory calculations, with initial vibrational energy E-vib=6452 cm(-1), at different initial rotational energies in the range 0-6452 cm(-1) and a temperature of 415 K for the translational energy. The effect of rotational energy on vibrational, rotational, and translational energy transfer was examined in terms of [Delta E] and [Delta E-2](1/2) for the inert gases (He, Ne, Ar, Kr, and Xe). The influence of mass of the collider and the interaction potential was analyzed computing trajectories using pseudo-isotopes of He and Xe. Collisional transition probabilities for vibrational, rotational, and translational degrees of freedom were obtained as a function on rotational energy. The computed transition probabilities became broader as the mass of collider and rotational energy increases and show a double exponential behavior for all gases. (C) 1998 American Institute of Physics. [S0021-9606(98)01013-7]. [References: 33]