1-ethyl-2-(N-ethyl-carbazol-3-yl)imidazo[4,5-f][1,10]-phenanthroline | 1046832-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 1-ethyl-2-(N-ethyl-carbazol-3-yl)imidazo[4,5-f][1,10]-phenanthroline
• 英文别名: 3-Ethyl-2-(9-ethylcarbazol-3-yl)imidazo[4,5-f][1,10]phenanthroline
• CAS: 1046832-86-3
• 化学式: C₂₉H₂₃N₅
• 分子量: 441.535
• InChiKey: IYRBCTHEHZOCJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1-ethyl-2-(N-ethyl-carbazol-3-yl)imidazo[4,5-f][1,10]-phenanthroline 、 2,2'-联吡啶-4,4'-二甲酸 、 水 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到cis-N,N-1-ethyl-2-(N-ethyl-carbazol-3-yl)imidazo[4,5-f][1,10]-phenanthroline-N,N-4,4'-dicarboxy-2,2'-bipyridine-N,N-dithiocyanatoruthenium(II) sesquihydrate
  参考文献：
  名称：

  A new carbazole-based phenanthrenyl ruthenium complex as sensitizer for a dye-sensitized solar cell

  摘要：

  Three new amphiphilic ruthenium complexes (Ru-1, Ru-2 and Ru-3) based on phenanthrenyl derivatives have been synthesized and used as photosensitizers for dye-sensitized solar cells (DSSCs). The ruthenium complex Ru-1 containing a carbazole group showed especially improved photophysical properties (red-shifted metal-to-ligand charge-transfer transition absorptions and enhanced molar extinction coefficients)and interesting electrochemical properties, resulting in its improved open circuit potential and high overall light-to-electric power conversion efficiency of 5.3% (AM1.5,75 mW/cm(2)). These facts indicate that the carbazole-based phenanthrenyl ruthenium complex is a promising candidate for improving the conversion efficiency of dye-sensitized solar cells. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.027