| 1429411-97-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1429411-97-1
• 化学式: C₉₀H₁₁₇N₅O₄Zn
• 分子量: 1398.34
• InChiKey: VNQMEKALGFMRFL-KHCZFIBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2-溴噻唑-5-羧酸 、 在 三乙胺 、 三苯胂 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 反应 12.25h， 以0.112 g的产率得到
  参考文献：
  名称：

  Synthesis of porphyrin sensitizers with a thiazole group as an efficient π-spacer: potential application in dye-sensitized solar cells

  摘要：

  CNU-OC8在液态I- / I3-氧化还原电解质中表现出比基准YD2-OC8敏化剂更好的光伏性能。

  DOI：

  10.1039/c6ra00353b
• 作为产物：
  描述：

  [5-bis(4-hexylphenyl)amino-15-(triisopropylsilyl)ethynyl-10,20-bis(2,6-di-octyloxyphenyl)porphyrinato]zinc(II) 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Tropolone作为染料敏化太阳能电池的高性能稳固锚定基团

  摘要：

  托酚酮基团首次被用作染料敏化太阳能电池（DSSC）的锚定基团。基于具有卟啉部分的卟啉YD2-o-C8T的DSSC的功率转换效率为7.7％，仅略低于使用常规羧酸的参比卟啉YD2-o-C8所观察到的功率转换效率团体。更重要的是，YD2邻C8T被认为是优于YD2邻C8相对于DSSC耐久性和结合能力的TiO 2。这些结果清楚地表明，就设备耐用性和光伏性能而言，托洛酮是DSSC极有希望的染料固定基团。

  DOI：

  10.1002/anie.201502951

文献信息

• GREEN ZINC PORPHYRIN SENSITIZERS AND THEIR APPLICATIONS
  申请人：YEH Chen-Yu

  公开号：US20130090469A1

  公开（公告）日：2013-04-11

  The present invention relates to zinc porphyrin-based photosensitive dyes, specifically to zinc porphyrin-based photosensitive dyes with green transparency. The photosensitive dyes exhibit high push-pull ability in the zinc porphyrin-based structure, higher absorption and power conversion efficiency. The photosensitive dyes are used in the manufacture of dye-sensitive solar cells.

  本发明涉及基于锌卟啉的光敏染料，具体地说是具有绿色透明度的基于锌卟啉的光敏染料。这些光敏染料在锌卟啉结构中表现出很高的推拉能力，具有更高的吸收和功率转换效率。这些光敏染料用于制造染料敏感太阳能电池。
• Thiazolocatechol: Electron‐Withdrawing Catechol Anchoring Group for Dye‐Sensitized Solar Cells
  作者：Tomohiro Higashino、Hitomi Iiyama、Yuma Kurumisawa、Hiroshi Imahori

  DOI：10.1002/cphc.201900342

  日期：2019.10.16

  electron‐withdrawing thiazole moiety with a catechol anchoring group would improve its photovoltaic performance. Herein, we report a push‐pull porphyrin sensitizer ZnPTC with a thiazolocatechol anchoring group. The DSSC with ZnPTC exhibited η=4.87 %. This value is the highest ever reported for catechol‐anchor based DSSCs. Meanwhile, the long‐term cell durability was not improved, although the robust anchoring

  采用五元双齿螯合的锚定基团对于实现染料敏化太阳能电池（DSSC）的高功率转换效率（η）和长期耐久性具有吸引力。在这方面，我们选择了邻苯二酚作为可以采用螯合的锚定基团。但是，含邻苯二酚敏化剂的DSSC从未超过2％的η值。这些不良的光伏性能可能与邻苯二酚中羟基的供电子能力有关。考虑到这些，我们设想将吸电子的噻唑部分与邻苯二酚锚定基团融合将改善其光电性能。在本文中，我们报道了带有噻唑邻苯二酚锚定基团的推挽卟啉敏化剂ZnPTC。DSSC与ZnPTC表现出η＝ 4.87％。该值是基于邻苯二酚的DSSC报告的最高值。同时，尽管在苛刻的条件下仍具有强大的锚固性能，但长期电池的耐久性并未得到改善。
• Porphyrin sensitizers with π-extended pull units for dye-sensitized solar cells
  作者：Nagannagari Masi Reddy、Tsung-Yu Pan、Yesudoss Christu Rajan、Bo-Cheng Guo、Chi-Ming Lan、Eric Wei-Guang Diau、Chen-Yu Yeh

  DOI：10.1039/c3cp51327k

  日期：——

  New π-extended porphyrin dyes YD26–YD29 with long alkoxyl chains at the ortho positions of the meso-phenyls, and meta di-tert-butylphenyl-substituted porphyrins YD12–CN, and YD13–CN were synthesized for dye-sensitized solar cells, and their optical, electrochemical and photovoltaic properties were investigated and compared with those of YD12 and YD13. The absorption spectra of YD26–YD29 showed a slight red shift of Soret bands and blue shift of Q bands as compared to the meta-substituted porphyrins due to the electron-donating effects of dioctyloxy substituents at the ortho-positions of the meso-phenyl rings. Replacement of the carboxyl with a cyanoacrylic acid as the anchoring group results in significant broadening and red shifts of the absorptions, which is due to the strong electronic coupling between the pull unit and the porphyrin ring facilitated by the CC triple bond. The electrochemical studies and quantum-chemical calculations (DFT) indicated that the ortho alkoxy-substituted sensitizers exhibit lower oxidation potential, i.e. a higher HOMO energy level, and their HOMO–LUMO gaps are comparable to the meta-substituted analogues. The photovoltaic measurements confirmed that the ortho-octyloxy groups in the two meso-phenyls of YD26 and YD27 play a significant role in preventing dye aggregation thereby enhancing the corresponding short-circuit current density and open-circuit voltage. The power conversion efficiency (η) of YD26 is 8.04%, which is 11% higher than that of YD12, whereas the efficiency of YD27 is 6.03%, which is 135% higher than that of YD13. On the other hand, the poor performance of YD28 and YD29 is due to the floppy structural nature and limited molecular rigidity of the cyanoacrylic acid anchor.

  合成了中苯基正交位置具有长烷氧基链的Ï-延伸卟啉新染料YD26âYD29和元二叔丁基苯基取代卟啉YD12âCN和YD13âCN，用于染料敏化太阳能电池，研究了它们的光学、电化学和光伏特性，并与YD12和YD13进行了比较。与元取代卟啉相比，YD26âYD29 的吸收光谱显示出轻微的索雷特带红移和 Q 带蓝移，这是由于二辛基氧基取代基在中位苯基环的正交位置上具有电子捐赠效应。用氰基丙烯酸取代羧基作为锚定基团会导致吸收的显著拓宽和红移，这是由于 CC 三键促进了拉伸单元与卟啉环之间的强电子耦合。电化学研究和量子化学计算（DFT）表明，正烷氧基取代的敏化剂具有较低的氧化电位，即较高的 HOMO 能级，其 HOMOâLUMO 间隙与元取代的类似物相当。光电测量结果证实，YD26 和 YD27 的两个中苯基中的正辛氧基在防止染料聚集方面发挥了重要作用，从而提高了相应的短路电流密度和开路电压。YD26 的功率转换效率（δ-）为 8.04%，比 YD12 高 11%，而 YD27 的效率为 6.03%，比 YD13 高 135%。另一方面，YD28 和 YD29 的性能较差是由于氰基丙烯酸锚的结构性质较软，分子刚性有限。
• Intense NIR absorbing porphyrin based dyes with BODIPY as the acceptor
  作者：Jyotsna Bania、Sipra S. Sahoo、M. V. Nanda Kishore、Pradeepta K. Panda

  DOI：10.1039/d3nj02995f

  日期：——

  Two unprecedented intense NIR absorbing porphyrin-based dyes with BODIPY as the acceptor have been synthesized with panchromatic absorption which may find application in DSSCs.

  以 BODIPY 为受体合成了两种前所未有的高强度近红外吸收卟啉基染料，它们具有全色吸收特性，可应用于 DSSC。