[Quantum chemistry study on fluorescence spectra of six coumarin dyes].
A theoretical study on fluorescence spectra of six coumarin dyes is given in the present paper. Their geometric configurations were optimized by semi-empirical method AM1. For all optimal configurations, there is no imaginary frequency in vibrational analysis. On this basis, the electronic spectra were calculated by CIS method. All the calculated results are basically consistent with experimental values.
Zhang
Shu
S
College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610066, China. zhangshu1972@126.com
Xie
Yong-Hong
YH
Tan
Ying-Xiong
YX
Chen
Guo-Li
GL
Liao
Xian-Wei
XW