Theoretical and Experimental Investigation on Dipole Moment of Synthetized yt-Base in the Ground and Excited States
Open Access
- 1 February 1979
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 34 (2) , 172-175
- https://doi.org/10.1515/zna-1979-0208
Abstract
The electric dipole moment of yt-Base calculated by the CNDO/S and JNDO/S method is μg = 3.42 D and μg = 3.74 D in the ground state and μe = 4.41 D and μe = 5.67 D in the first excited ππ*-state, respectively, μg and μe being nearly antiparallel. Measurements of absorption and fluorescence spectra of yt-Base in aprotic solvents of different polarity yielded μg = 3.8 D and μe = 4.3 D and the directions of dipole moments were found to be nearly antiparallel. This comparison may be considered as an indication for the ππ* character of the observable first excited state, although the CNDO/S-and JNDO/S-calculations predict a nπ*-state as the lowest lying excited stateKeywords
This publication has 0 references indexed in Scilit: