Ab. Mccoy, THEORETICAL INVESTIGATIONS OF THE LIFETIME OF SH AND SD ((A)OVER-TILDE (2)SIGMA(-CENTER-DOT-CENTER-DOT-CENTER-DOT-SH()) IN M)D (M=NE,AR,KR)COMPLEXES/, The Journal of chemical physics, 109(1), 1998, pp. 170-176
The Lifetimes of SH and SD in the (A) over tilde (2)Sigma(+) electroni
c state are investigated as a function of the intermolecular vibration
al states of Ne ... SH, Ar ... SH and Kr ... SH. Model potentials are
developed for these systems and the lifetimes, calculated from these p
otentials, agree well with those reported by Miller, and co-workers [A
pplegate, Yang and Miller, J. Chem. Phys. 109, 162 (1998)]. The calcul
ated Lifetimes are analyzed using an empirical ballistic model that as
sumes that the rare gas atom effectively blocks electronic predissocia
tion for certain geometries. The results of this model are found to be
in good agreement with the more demanding adiabatic calculations of t
he dynamics and with the experimental lifetimes. (C) 1998 American Ins
titute of Physics. [S0021-9606(98)01025-3].