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有机化学
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有机化学 ›› 2005, Vol. 25 ›› Issue (11): 1410-1415. 上一篇    下一篇

研究论文

2-(N'-乙基咔唑-3'-烯基)-8-羟基喹啉的合成及理论研究

欧阳新华1，曾和平*,1,2   

  1. (1华南师范大学化学系 广州 510631)
    (2华南理工大学功能分子研究所 广州 510641)
  • 收稿日期:2005-04-22 修回日期:2005-06-01 发布日期:2005-10-30
  • 通讯作者: ZENG Heng-Ping

Synthesis and Theoretics Study of N-Ethyl-3-[2-(8-hydroxyquinolin-2-yl)vinyl]carbazole

OUYANG Xin-Hua1,ZENG Heng-Ping*,1,2   

  1. (1 Department of Chemistry, South China Normal University, Guangzhou 510631)
    (2 Institute of Functional Moleculars, South China University of Technol-ogy, Guangzhou 510641)
  • Received:2005-04-22 Revised:2005-06-01 Published:2005-10-30
  • Contact: 曾和平

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设计合成了2-(N'-乙基咔唑-3'-烯基)-8-羟基喹啉. 以UV-Vis, 1H NMR, FT-IR, 元素分析和MS进行了结构表征, 并测定了产物的光致发光(PL)性质. 运用Gaussian98量子化学程序包, 采用B3LYP密度泛函(DFT)的方法, 在6-31G(d,p)水平上对分子的几何构型进行结构优化; 预测目标产物的振动光谱, 结果表明与实验值相符.

关键词: 2-(N'-乙基咔唑-3'-烯基)-8-羟基喹啉, 光致发光, 振动光谱

N-Ethyl-3-[2-(8-hydroxyquinolin-2-yl)vinyl]carbazole have been synthesized and identified by UV-Vis, 1H NMR, FTIR, MS spectra and elemental analyses. Its photoluminescence properties were measured on an F-250 spectrometer. The geometry structure was optimized and vibration spectrum was predicted by the density functional theory calculations with the B3LYP functional on the level of 6-31G(d,p) basis set. The vibration spectrum predicted was compared with the observed value to be in good agreement.

Key words: N-ethyl-3-[2-(8-hydroxyquinolin-2-yl)vinyl]carbazole, vibration spectrum, photoluminescence