Effect of the vibrational pattern of out-of-plane vibrational modes on vibronically induced spin-orbit coupling between ππ* states involved in nonradiative intersystem crossing transitions
Abstract
To describe nonradiative intersystem crossing between excited ππ* states, the matrix elements of the operator of spin-orbit interaction are calculated. Adiabatic electronic functions that depend on out-of-plane normal vibrational coordinates are used as a zero approximation. Using dibenzofuran and tetrachloro-substituted dioxin as examples and taking into account all the out-of-plane vibrational modes, the effects of the vibrational patterns of these modes on the matrix elements under consideration, as well as of the spin-orbit coupling in carbon, oxygen, and chlorine atoms of individual atomic groups of the molecule, are discussed.
- Publication:
-
Optics and Spectroscopy
- Pub Date:
- August 2008
- DOI:
- 10.1134/S0030400X08080080
- Bibcode:
- 2008OptSp.105..208G
- Keywords:
-
- 33.50.-j;
- 33.50.-j;
- Fluorescence and phosphorescence;
- radiationless transitions quenching