| 1400874-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1400874-43-2
• 化学式: C₁₀₆H₉₁N₅O₁₃
• 分子量: 1642.91
• InChiKey: ZVARMSWOWHQPDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.66
• 重原子数：
  124.0
• 可旋转键数：
  15.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  198.91
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  N-p-phenylenediamine-1,7-di(pyrrolidinyl)perylene-3,4:9,10-tetracarboxylic-3,4-anhydride-9,10-imide 、 N-n-butyl-1,6,7,12-tetra(4-tert-butylphenoxy)perylene-3,4:9,10-tetracarboxylic-3,4-anhydride-9,10-imide 在 咪唑 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以9.1%的产率得到
  参考文献：
  名称：

  Linear perylenetetracarboxylic monoanhydried derivatives for the sensitization of dye-sensitized solar cells

  摘要：

  We report here a series of linear perylenetetracarboxylic imide derivatives (PDIs), abbreviated as PN, PO-PN and PO-PO-PN, with high molar extinction coefficients and broad absorptions in visible to near-infrared (NIR) region. These new dyes are designed for the use as sensitizers in dye sensitized solar cell (DSSC) with a motive to enhance the optical absorption of mesoporous titania film and light collecting efficiency. Energy transfer from PO parts to PN unit is revealed by absorption and fluorescence spectra. The energy transfer efficiencies estimated from the fluorescence quenching efficiencies are almost 100%. The mesoporous titania film loaded with these dyes exhibit broad absorption bands in the visible to NIR region. The IPCE spectra revealed distinctively the contribution of PO parts to the solar energy conversion, which suggests that the intramolecular singlet-singlet energy transfer is a reliable strategy to improve the light absorbing abilities of a dye adsorbed on titania films. The necessary efforts to further improve the efficiency of cells by the molecular design of PDI derivatives are discussed. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2012.04.019