Synthesis, photoluminescent behaviors, and theoretical studies of two novel ketocoumarin derivatives

被引：20

作者：

Li, Jing ^{[1
]}

Li, Xianggao ^{[1
]}

Wang, Shirong ^{[1
]}

机构：

[1] Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2012年 / 88卷

基金：

中国国家自然科学基金;

关键词：

Coumarin; Synthesis; UV-vis; Photoluminescence; DFT studies; COUMARINS;

D O I：

10.1016/j.saa.2011.11.044

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Two new coumarin derivatives, 3-[3-(4-formylphenyl)prop-2-enoyl]-coumarin (FEC) and 4-hydroxy-3-[3-(4-formylphenyl)prop-2-enoyl]-coumarin (HFEC), were synthesized and characterized by MS, H-1 NMR, FT-IR, and TG. The UV-vis absorption and photoluminescence (PL) of FEC and HFEC were also studied. Results show that the two compounds exhibit high fluorescence quantum yields, large Stokes shifts, and strong blue emissions. The molecular structures, the lowest energy transitions, the resonance frequencies, and the UV-vis spectra of FEC and HFEC were calculated using the density functional theory (OFT) and time-dependent density functional theory (TD-DFT) at the B3LYP/6-31 G(d) level. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：31 / 36

页数：6

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