Spectroscopy and Spectral Analysis, Volume. 29, Issue 12, 3323(2009)
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.
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ZHANG Shu, XIE Yong-hong, TAN Ying-xiong, CHEN Guo-li, LIAO Xian-wei. Quantum Chemistry Study on Fluorescence Spectra of Six Coumarin Dyes[J]. Spectroscopy and Spectral Analysis, 2009, 29(12): 3323
Received: Dec. 12, 2008
Accepted: --
Published Online: Jan. 4, 2010
The Author Email: Shu ZHANG (zhangshu1972@126.com)
CSTR:32186.14.