RC11 |
---|
TIMOTHY A. BARCKHOLTZ AND TERRY A. MILLER, Laser Spectroscopy Facility, Department of Chemistry, The Ohio State University, Columbus, Ohio 43210.
The electronic spectra of the A 2A \leftrightarrow X 2E transition of the CF3O and CF3S radicals are complex because of Jahn-Teller activity in the 2E ground states. Proper analyses of the spectra require the inclusion of both Jahn-Teller coupling and spin-orbit coupling. For CF3O, the couplings are similar in magnitude whereas in CF3S the spin-orbit coupling clearly dominates, although Jahn-Teller coupling cannot be ignored. The analysis of the emission spectra have included first-order and second-order Jahn-Teller coupling constants in each of the three Jahn-Teller active e modes, as well as spin-orbit coupling. Results of our analyses will be presented along with improvements to the computational program.