Zn[5,15-dimethylaminophenyl-10,20-(4-carboxyphenyl)porphyrin] | 1370707-93-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Zn[5,15-dimethylaminophenyl-10,20-(4-carboxyphenyl)porphyrin]
• CAS: 1370707-93-9
• 化学式: C₅₀H₃₈N₆O₄Zn
• 分子量: 852.28
• InChiKey: SDNZSMKEPZTTES-FFRAJVPUSA-L

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：

  对甲酰基苯甲酸甲酯 在 indium(III) chloride 、 zinc(II) acetate dihydrate 、 三氟乙酸 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 氯仿 、 水 为溶剂， 反应 78.0h， 生成 Zn[5,15-dimethylaminophenyl-10,20-(4-carboxyphenyl)porphyrin]
  参考文献：
  名称：

  A new family of A2B2 type porphyrin derivatives: synthesis, physicochemical characterization and their application in dye-sensitized solar cells

  摘要：

  一系列新的A2B2型卟啉，即自由基P1和锌络合物P2，已被合成并表征为染料敏化太阳能电池（DSSCs）的光敏剂。这些染料分子包含一个卟啉单元作为π-间隔，两组N,N′-二甲基苯基作为电子供体，以及两种苯甲酸基团作为锚定基团，形成推推-拉拉型卟啉。通过紫外-可见光、荧光光谱和循环伏安法研究了这两种染料（P1和P2）的光物理和电化学特性。DFT结果表明，HOMO位于供体组上，而LUMO位于锚定的羧酸根组上，表明它们适合用于DSSCs的制造。在光伏测量中，基于P1和P2染料的DSSCs分别达到整体光电转换效率（PCE）为3.80%和4.90%。当在染料溶液中加入CDCA共同吸附剂时，P1和P2染料的整体PCE进一步提高至4.83%和6.07%。电化学阻抗数据显示，由于CDCA的共同吸附，电子寿命得到了提高，这归因于Voc和Jsc的改善。Jsc的增加也被归因于后反应的减少，即电子与三碘化物离子的复合。

  DOI：

  10.1039/c2jm15420j

文献信息

• Effect of dimethylaminophenyl and thienyl donor groups on Zn-Porphyrin for dye sensitized solar cell (DSSC) applications
  作者：S. Kotteswaran、V. Mohankumar、M. Senthil Pandian、P. Ramasamy

  DOI：10.1016/j.ica.2017.08.020

  日期：2017.10

  We have designed and synthesized two Zn-Porphyrin derivatives Zn[5,15-dimethylaminophenyl-10,20( 4-carboxyphenyl) Porphyrin] (SKPor-1) and Zn[5,15-thiophene-10,20-(4-carboxyphenyl) Porphyrin] (SKPor-2) which possess donor modified structures as sensitizer for dye sensitized solar cells (DSSCs). These molecules contain the porphyrin unit as p-bridge, dimethylaminophenyl and thienyl groups as electron donor group and carboxylic acid group as anchoring group (electron acceptor unit). The SKPor-1 dye has large red-shift of the absorption maxima due to introduction of the dimethylaminophenyl moiety at the meso position of the porphyrin ring. But the absorption maxima of SKPor-2 is a little red-shifted due to the thienyl group attached with the porphyrin unit. The highly conjugated dimethylaminophenyl group is efficiently donating the electrons and electronic interaction between the porphyrin and dimethylaminophenyl unit is better compared to thienyl unit. The DSSC was made using commercial P25 TiO2 material as photoanode, Zn-Porphyrin derivatives as sensitizer, I /I-3 as electrolyte and platinum (Pt) as counter electrode. The highest power conversion efficiency of the two Zn-Porphyrin derivatives (SKPor-1) based on DSSC reached 3.2 % with open circuit voltage (V-oc) of 0.68 V, short circuit photocurrent density (J(sc)) of 9.62 mA/cm(2) and fill factor (ff) of 0.50, SKPor-2 based DSSC reached 2.5% open circuit voltage (V-oc) of 0.68 V, short circuit photocurrent density (J(sc)) of 7.2 mA/cm(2) and fill factor (ff) of 0.51 under AM 1.5 G irradiation. (C) 2017 Elsevier B.V. All rights reserved.