QUASI-CLASSICAL TRAJECTORY SIMULATIONS OF COLLISIONAL DEACTIVATION OFVIBRATIONALLY EXCITED HGBR(B (2)SIGMA) .1. DEPENDENCE ON VIBRATIONAL-ENERGY

The collisional deactivation of HgBr(B (2) Sigma) by He, Ne, Ar, Kr, a nd Xe has been studied using quasiclassical trajectories calculations, with initial vibrational energy E-V in the range 3000-20 000 cm(-1). The rotational and translational energies used in the calculations cor responded to the Boltzmann distribution at 415 K. The first and second moments for the transference of translational, rotational, and vibrat ional energy are linearly dependent on E-V. The spread of the distribu tion depends quadratically on E-V for vibrational and translational en ergy transfer and linearly for the rotational change. The results coul d also be satisfactorily adjusted to power laws on E-V and vibrational quantum number, which is indicative of the difficulty in interpreting experimental results through the usually available information of the dependence of the total average energy loss. Analysis of the correlat ion coefficients and the relative changes of average translational, ro tational and vibrational energy transferred per collision indicates a strong V-R coupling for the heavier gases (Ar, Kr, and Xe). (C) 1997 A merican Institute of Physics.