Acta Chimica Sinica ›› 2009, Vol. 67 ›› Issue (24): 2803-2808. Previous Articles     Next Articles

Special Topic

2-(3-羟基-2-吡啶基)-苯并咪唑的合成、晶体结构及光谱研究

易平贵1,王涛1,周继明1,彭洪亮1,李筱芳1,于贤勇2,汪朝旭1   

  1. 1. 湖南科技大学化学化工学院
    2. 湖南科技大学化学系
  • 投稿日期:2009-02-23 修回日期:2009-07-14 发布日期:2010-02-04
  • 通讯作者: 易平贵 E-mail:yipinggui@sohu.com
  • 基金资助:

    国家自然科学基金

Synthesis, Crystal Structure, and Spectroscopic Studies on 2-(3-Hydroxy-2-pyridyl)-benzimidazole

YI Ping-Gui1,Tao WANGJi-Ming ZHOU   

  • Received:2009-02-23 Revised:2009-07-14 Published:2010-02-04
  • Contact: YI Ping-Gui E-mail:yipinggui@sohu.com

2-(3-Hydroxy-2-pyridyl)benzimidazole was synthesized and characterized well by NMR (1H,
13C, COSY, HSQC, and HMBC), MS, IR, and UV techniques, together with X-ray single crystal diffraction
throughly. The diffraction experiment confirmed the results of spectroscopic analysis and showed that the
crystal belongs to monoclinic, space group P21/c with unit cell parameters a=14.289(3) Å, b=10.618(2) Å,
c=12.783(3) Å, β=93.51(3)°, V=1935.8(7) Å3, and Z=8. The fluorescence spectrum indicates that there
has been a double proton transfer in excited state. The results of density functional calculations provide a
reasonable explanation on the experimental phenomena.

Key words: 2-(3-hydroxy-2-pyridyl)benzimidazole, NMR, crystal structure, fluorescence spectra, theoreticalcalculation