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[Quantum chemistry study on fluorescence spectra of six coumarin dyes].

Authors :
Zhang S
Xie YH
Tan YX
Chen GL
Liao XW
Source :
Guang pu xue yu guang pu fen xi = Guang pu [Guang Pu Xue Yu Guang Pu Fen Xi] 2009 Dec; Vol. 29 (12), pp. 3323-6.
Publication Year :
2009

Abstract

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.

Details

Language :
Chinese
ISSN :
1000-0593
Volume :
29
Issue :
12
Database :
MEDLINE
Journal :
Guang pu xue yu guang pu fen xi = Guang pu
Publication Type :
Academic Journal
Accession number :
20210161