4,7-bis(5-iodothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole | 1416787-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 4,7-bis(5-iodothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole
• 英文别名: 4,7-di(5-iodothiophen-2-yl)-5,6-dioctyloxy-2,1,3-benzothiadiazole；4,7-Bis(5-iodothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole
• CAS: 1416787-64-8
• 化学式: C₃₀H₃₈I₂N₂O₂S₃
• 分子量: 808.651
• InChiKey: LELLTYSTROMEEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  39
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5,6-双(辛氧基)-2,1,3-苯并噻二唑 在 bis-triphenylphosphine-palladium(II) chloride 、 N-碘代丁二酰亚胺 、 溴 、 sodium acetate 、 溶剂黄146 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 48.0h， 生成 4,7-bis(5-iodothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole
  参考文献：
  名称：

  聚合物太阳能电池用聚亚芳基亚乙烯基中的亚乙烯基单元的氟官能化†

  摘要：

  低带隙共聚物PDTBTFV与双氟亚乙烯基单元交替的双噻吩基-（双-烷氧基）-苯并噻二唑嵌段及其非氟化对应物PDTBTV已经合成并表征了以PCBM为受体的体异质结（BHJ）太阳能电池的供体材料。具有氟化聚合物的太阳能电池显示出比未氟化材料记录的更好的光伏性能。已经进行了比较光谱学和计算研究，以及薄膜的形态，电学和光学表征，以阐明由于双键氟化引起的性能改善的原因。我们的研究将氟化双键作为BHJ太阳能电池供体聚合物中的新共轭单元。

  DOI：

  10.1039/c2ta00177b

文献信息

• Ethynylene-containing donor-acceptor alternating conjugated polymers: Synthesis and photovoltaic properties
  作者：Chun Du、Weiwei Li、Cuihong Li、Zhishan Bo

  DOI：10.1002/pola.26396

  日期：2013.1.15

  AbstractFour ethynylene‐containing donor‐acceptor alternating conjugated polymers P1–P4 with 2,5‐bis(dodecyloxy) substituted phenylene or carbazole as the donor unit and benzothiadiazole (BTZ) as the acceptor unit were synthesized and used as donor polymers in bulk heterojunction polymer solar cells. The optical, electrochemical, and photovoltaic properties of these four polymers with the ethylene unit located at different positions of the polymer chains were systematically investigated. Our results demonstrated that absorption spectra and the HOMO and LUMO energy levels of polymers could be tuned by varying the position of the ethynylene unit in the polymer chains. Photovoltaic devices based on polymer/PC71BM blend films spin coated from chloroform and dichlorobenzene solutions were investigated. For all four polymers, open circuit voltages (Voc) higher than 0.8 V were obtained. P4, with ethynylene unit between BTZ and thiophene, shows the best performance among these four polymers, with a Voc of 0.94 V, a Jsc of 4.2 mA/cm2, an FF of 0.40, and a PCE of 1.6%. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013