화학공학소재연구정보센터
Journal of Chemical Physics, Vol.106, No.16, 6607-6611, 1997
A Theoretical Investigation of the Spin-Orbit-Induced Predissociation of Bar C-2-Delta
The predissociation of the C-2 Delta state of BAr deduced from the laser excitation and fluorescence depletion experiments in the accompanying paper [X. Yang and P. J. Dagdigian, J. Chem. Phys 106, 6596 (1997)] is considered theoretically. Rates for the spin-orbit-induced predissociation of BAr(C-2 Delta, v) levels by the repulsive 1 (II)-I-4 state are reported, based on ab initio electronic structure data. The predissociation rates reflect the heavy atom effect on the spin-orbit coupling. The rates for the higher vibrational levels are quite sensitive to the position of the "wall" of the 1 (II)-I-4 state.