QUASI-CLASSICAL TRAJECTORY SIMULATIONS OF COLLISIONAL VIBRATIONALLY EXCITED HGBR(B-2-SIGMA) - II - DEPENDENCE ON ROTATIONAL-EXCITATION

The collisional deactivation of HgBr(B (2) Sigma) by different inert g ases has been studied using quasiclassical trajectory calculations, wi th initial vibrational energy E-vib=6452 cm(-1), at different initial rotational energies in the range 0-6452 cm(-1) and a temperature of 41 5 K for the translational energy. The effect of rotational energy on v ibrational, rotational, and translational energy transfer was examined in terms of [Delta E] and [Delta E-2](1/2) for the inert gases (He, N e, Ar, Kr, and Xe). The influence of mass of the collider and the inte raction potential was analyzed computing trajectories using pseudo-iso topes of He and Xe. Collisional transition probabilities for vibration al, 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 increase s and show a double exponential behavior for all gases. (C) 1998 Ameri can Institute of Physics. [S0021-9606(98)01013-7].