5-(4-carboxyphenyl)-15-(4-diphenylaminophenyl)-5,15-dimesitylporphyrin zinc | 1360879-18-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-(4-carboxyphenyl)-15-(4-diphenylaminophenyl)-5,15-dimesitylporphyrin zinc
• CAS: 1360879-18-0
• 化学式: C₆₃H₄₉N₅O₂Zn
• 分子量: 973.504
• InChiKey: RJSDNUSLUGBZLL-ZBWIKOQGSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  、 zinc(II) acetate dihydrate 以 甲醇 、 氯仿 为溶剂， 以70.3%的产率得到5-(4-carboxyphenyl)-15-(4-diphenylaminophenyl)-5,15-dimesitylporphyrin zinc
  参考文献：
  名称：

  Porphyrin Dyes on TiO₂Surfaces with Different Orientations: A Photophysical, Photovoltaic, and Theoretical Investigation

  摘要：

  Porphyrin dyes with a triphenylamino group as an electron donor, para- or meta-benzoic acids as electron acceptors, and hydrogen (H) or mesityl (M) substituents on the meso position as auxiliary groups were synthesized. Their photophysical properties and photovoltaic performance in dye-sensitized solar cells were investigated. All four porphyrins exhibited similar photophysical properties in the solution and dye-loading densities on the surface of TiO2 nanoparticles; however, the p-benzoic acid functionalized porphyrins, p-H(M)PZn, gave better photovoltaic performance than m-benzoic acid functionalized porphyrins, m-H(M)PZn. Theoretical calculations indicated that the electron density on the frontier molecular orbital was more delocalized to p-benzoic acid than to m-benzoic acid. Absorption spectra indicated the stronger H-aggregation in m-H(M)PZn than that in p-H(M)PZn on the surface of TiO2 nanoparticles. The mesityl groups in the meso positions reduced the dye-loading density due to steric hindrance between dyes. As a result, the p-MPZn exhibited the best energy conversion efficiency among the four porphyrins studied. This efficiency was further enhanced when a complementary dye BET was used.

  DOI：

  10.1021/jp412609k