Rate constant of vibrational redistribution in molecules using adiabatic approximation model.
By means of the proposed adiabatic approximation model for vibrational redistribution [Lin, S. H. (1980) Chem. Phys. Lett. 70, 492-499], the calculations of various rate constants caused by different couplings have been given in detail. By two methods it has been demonstrated that the rate constant caused by the Born-Oppenheimer mechanism, corrected by the non-Condon approximation, has the same order of magnitude as that contributed by the anharmonic mechanism. Furthermore, the important effect of molecular rotation on the rate constant based on the Coriolis coupling has been demonstrated.
Lin
S H
SH
Department of Chemistry, Arizona State University, Tempe, Arizona 85287.
Xing-Guo
Z
Z
Zhi-Ding
Q
Q
Xing-Wen
L
L
Eyring
H
H