IN1538,4,6-双(4-癸基噻吩基)-噻吩并[3,4-C][1,2,5]噻二唑(S) | 914613-38-0

• 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
• 中文名称: IN1538,4,6-双(4-癸基噻吩基)-噻吩并[3,4-C][1,2,5]噻二唑(S)
• 英文名称: 5,7-bis(4-decanyl-2-thienyl)thieno[3,4-b]thiadiazole
• 英文别名: Thieno[3,4-c][1,2,5]thiadiazole-2-SIV, 4,6-bis(4-decyl-2-thienyl)-；6,8-bis(4-decylthiophen-2-yl)-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene
• CAS: 914613-38-0
• 化学式: C₃₂H₄₆N₂S₄
• 分子量: 586.995
• InChiKey: AZWNLYHQNNHHRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.6
• 重原子数：
  38
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  IN1538,4,6-双(4-癸基噻吩基)-噻吩并[3,4-C][1,2,5]噻二唑(S) 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 吡啶 为溶剂， 反应 1.0h， 以84%的产率得到5,7-bis(5-bromo-4-decanyl-2-thienyl)thieno-[3,4-b]thiadiazole
  参考文献：
  名称：

  Tuning Energy Levels of Low Bandgap Semi-Random Two Acceptor Copolymers

  摘要：

  A series of low bandgap semi-random copolymers incorporating various ratios of two acceptor units-thienothiadiazole and benzothiadiazole-were synthesized by Pd-catalyzed Stille coupling. The polymer films exhibited broad and intense absorption spectra, covering the spectral range from 350 nm up to 1240 nm. The optical bandgaps and HOMO levels of the polymers were calculated from ultraviolet visible spectroscopy and cyclic voltammetry measurements, respectively. By changing the ratio of the two acceptor monomers, the HOMO levels of the polymers were tuned from -4.42 to -5.28 eV and the optical bandgaps were varied from 1.00 to 1.14 eV. The results indicate our approach could be applied to the design and preparation of conjugated polymers with specifically desired energy levels and bandgaps for photovoltaic applications.

  DOI：

  10.1021/ma400531v