2-cyano-3-(3-hexyl-5-(4-(10,15,20-tris(4-methylphenyl))porphyrinatozinc(II)-yl)-3-hexyl-5-benzo[1,2,5]thiadiazol-4-yl)thienyl acrylic acid | 1394978-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-cyano-3-(3-hexyl-5-(4-(10,15,20-tris(4-methylphenyl))porphyrinatozinc(II)-yl)-3-hexyl-5-benzo[1,2,5]thiadiazol-4-yl)thienyl acrylic acid
• CAS: 1394978-72-3
• 化学式: C₇₁H₆₁N₇O₂S₃Zn
• 分子量: 1205.9
• InChiKey: AWIYLRTYVIWDDU-SGXRBNKPSA-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：

  [(4-hexylthiophen-5-formyl-2-yl)benzo[1,2,5]thiadiazol-4-yl]-4-hexylthiophene-2-10,15,20-tris(4-methylphenyl)porphyrin zinc 、 氰乙酸 在 哌啶 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 16.0h， 以34.8%的产率得到2-cyano-3-(3-hexyl-5-(4-(10,15,20-tris(4-methylphenyl))porphyrinatozinc(II)-yl)-3-hexyl-5-benzo[1,2,5]thiadiazol-4-yl)thienyl acrylic acid
  参考文献：
  名称：

  Porphyrins modified with a low-band-gap chromophore for dye-sensitized solar cells

  摘要：

  Two novel porphyrin dyes (PMBTZ and PHBTZ) modified with alkyl-thiophene and 2,1,3-benzothiadiazole (BTZ) moieties were designed and synthesized. The optical and electrochemical properties were characterized by UV-visible, fluorescence spectroscopy and cyclic voltammetry. With the introduction of the low-band-gap chromophore onto the porphyrins, the absorption spectra of the two porphyrin dyes in the range of 450-600 nm were broadened and the maximum wavelength was red-shifted compared with P-Zn as expected. The first oxidation potentials (E-ox1) were altered to the negative, which lowered from 1.27 to 1.11 and 1.15 eV, respectively. For a typical solar cell device based on dye PMBTZ, the maximal monochromatic incident photon-to-current conversion efficiency (IPCE) can reach to 65%, with a broad respondent region of 350-800 nm. Under standard global AM 1.5 solar condition, the dye-sensitized solar cell (DSSC) based on the dye PMBTZ showed the best photovoltaic performance: a short-circuit photocurrent density (J(sc)) of 14.11 mA/cm(2), an open-circuit photo voltage (V-oc) of 0.59 V, and a fill factor (ff) of 0.66, corresponding to solar-to-electric power conversion efficiency (eta) of 5.46%. (c) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2011.12.014