• Spectroscopy and Spectral Analysis
  • Vol. 29, Issue 12, 3323 (2009)
ZHANG Shu1、*, XIE Yong-hong2, TAN Ying-xiong1, CHEN Guo-li1, and LIAO Xian-wei1
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
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    DOI: Cite this Article
    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 Copy Citation Text show less

    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.
    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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