| 1431567-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• CAS: 1431567-41-7
• 化学式: C₅₆H₄₁Cl₂N₅O₃
• 分子量: 902.879
• InChiKey: UVXDSLFOMBLOGO-BQPCGTMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.43
• 重原子数：
  66.0
• 可旋转键数：
  6.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  105.25
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 zinc(II) acetate dihydrate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Performance of four artificial chlorin-type sensitizers with different stereostructures in dye-sensitized solar cells

  摘要：

  Four artificial chlorin-type sensitizers have been prepared and their photovoltaic performance in dye-sensitized solar cells has been evaluated. It was found that the photovoltaic performance increased with growing absorption intensity of the Q band in a TiO2 film. This result indicates the contribution of intrinsic enhanced absorption properties of chlorins in the Q band regions on the improvement of the overall photovoltaic performance in DSSCs. On the other hand, their capability of solar energy conversion also exhibits close relationship with the geometry of the four sensitizers, in which the orientation of a sterically demanding 2,6-dichlorophenyl group towards either the 5- or 15-position (the anchor group is at the 20-position) gives higher solar energy-to-electricity conversion efficiency. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.01.013
• 作为产物：
  描述：

  2,6-二氯苯甲腈 N-氧化物 、 5-(4-羧基甲基苯基)-10,15,20-三(4-甲基苯基)卟啉 以 甲苯 为溶剂， 反应 6.0h， 以9.5%的产率得到
  参考文献：
  名称：

  Performance of four artificial chlorin-type sensitizers with different stereostructures in dye-sensitized solar cells

  摘要：

  Four artificial chlorin-type sensitizers have been prepared and their photovoltaic performance in dye-sensitized solar cells has been evaluated. It was found that the photovoltaic performance increased with growing absorption intensity of the Q band in a TiO2 film. This result indicates the contribution of intrinsic enhanced absorption properties of chlorins in the Q band regions on the improvement of the overall photovoltaic performance in DSSCs. On the other hand, their capability of solar energy conversion also exhibits close relationship with the geometry of the four sensitizers, in which the orientation of a sterically demanding 2,6-dichlorophenyl group towards either the 5- or 15-position (the anchor group is at the 20-position) gives higher solar energy-to-electricity conversion efficiency. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.01.013