QUASICLASSICAL TRAJECTORY SIMULATIONS OF COLLISIONAL DEACTIVATION OF VIBRATIONALLY EXCITED HGBR(B (2)SIGMA) .1. DEPENDENCE ON VIBRATIONAL ENERGY

摘要

The collisional deactivation of HgBr(B (2) Sigma) by He, Ne, Ar, Kr, and 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 corresponded to the Boltzmann distribution at 415 K. The first and second moments for the transference of translational, rotational, and vibrational energy are linearly dependent on E-V. The spread of the distribution depends quadratically on E-V for vibrational and translational energy transfer and linearly for the rotational change. The results could 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 correlation coefficients and the relative changes of average translational, rotational and vibrational energy transferred per collision indicates a strong V-R coupling for the heavier gases (Ar, Kr, and Xe). (C) 1997 American Institute of Physics. [References: 37]