Jahn-Teller coupling in the (X)over-tilde(2)E ground states of the CF3O and CF3S radicals

Citation
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
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
97
Issue
1-2
Year of publication
1999
Pages
239 - 254
Database
ISI
SICI code
0026-8976(19990710)97:1-2<239:JCIT(G>2.0.ZU;2-8
Abstract
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.