[Study on fluorescence spectra of the four heterocyclic compounds in solution].
The fluorescence spectra of the four compounds have been studied. Geometric configurations of the four compounds have been optimized by semi-empirical method RHF/AM1 of quantum chemistry. There is no imaginary frequency in vibrational analysis. Their fluorescence spectra have also been calculated by RHF/CIS. The results of calculation in solution are better agreement with experimental values than in gas phase.
Qian
Yi-ming
YM
Department of Chemistry, Sichuan Normal University, Chengdu 610066, China.
Wang
Ying
Y
Wu
Xue-mei
XM
Zhao
Ying
Y
Liao
Xian-we
XW