Ta. Barckholtz et al., Jahn-Teller coupling in the (X)over-tilde(2)E ground states of the CF3O and CF3S radicals, MOLEC PHYS, 97(1-2), 1999, pp. 239-254
The Jahn-Teller and spin-orbit coupling in the ground states of the CF3O an
d CF3S radicals have been investigated experimentally by dispersed fluoresc
ence spectroscopy. These spectra are analysed using a theoretical model tha
t simultaneously includes spin-orbit coupling and multimode Jahn-Teller cou
pling, both linear and quadratic. We find that in each of these radicals a
moderate linear Jahn-Teller effect exists in V-6, with a much smaller coupl
ing in v(5). These results are compared and contrasted with those for the r
elated radicals CH3O and CH3S. The experimental data and theoretical analys
es of these four radicals represent the most thorough investigations to dat
e of the combined effects of spin-orbit and Jahn-Teller coupling.