Spectroscopy and Spectral Analysis, Volume. 29, Issue 12, 3323(2009)

Quantum Chemistry Study on Fluorescence Spectra of Six Coumarin Dyes

ZHANG Shu1、*, XIE Yong-hong2, TAN Ying-xiong1, CHEN Guo-li1, and LIAO Xian-wei1
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  • 2[in Chinese]
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    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

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    Paper Information

    Received: Dec. 12, 2008

    Accepted: --

    Published Online: Jan. 4, 2010

    The Author Email: Shu ZHANG (zhangshu1972@126.com)

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