ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Based on completely optimized molecular geometries of the photophysically relevant electronic states, the corresponding vibrational energies and wave functions and the theoretical rate constants for the internal conversion processes of azulene within the Sp, term system are presented. The influence of the promoting and accepting modes on the radiationless deactivation rates is discussed. An analysis of the active nonradiative modes is given. In context with the respective theoretical radiative rates, the efficiency of the different azulene fluorescences is interpreted.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560380102
