ISSN:
0941-1216
Keywords:
Chemistry
;
Organic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A Theoretical Contribution to the Radiative and Non-Radiative S1 Deactivation of the Isomeric Terphenyls by Including their Stable ConformationsOn the basis of completely optimized S0 and S1 molecular geometries of isomeric terphenyls the radiative and non-radiative S1 deactivations were investigated theoretically within the Condon and Herzberg-Teller approach, respectively. The theoretical vibronic S1 → S0 ‘line’ spectra are compared with the experimental fluorescence data. The influence of stable conformations on the vibronic spectral behaviour is discussed. For the internal S1 S0 conversion the rate constants were calculated by including the promoting and accepting modes, and the electronic factor as well. In all cases the photophysically relevant vibrational modes are analyzed.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/prac.19923340508
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