4,7-bis(5-bromothiophen-2-yl )-2-(3,5-difluoro-4-(2-octyldodecyloxy)phenyl)-2H-benzotriazole | 1432516-08-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,7-bis(5-bromothiophen-2-yl )-2-(3,5-difluoro-4-(2-octyldodecyloxy)phenyl)-2H-benzotriazole
• 英文别名: 4,7-Bis(5-bromothiophen-2-yl)-2-[3,5-difluoro-4-(2-octyldodecoxy)phenyl]benzotriazole；4,7-bis(5-bromothiophen-2-yl)-2-[3,5-difluoro-4-(2-octyldodecoxy)phenyl]benzotriazole
• CAS: 1432516-08-9
• 化学式: C₄₀H₄₉Br₂F₂N₃OS₂
• 分子量: 849.785
• InChiKey: KXXHFEPASGCBCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.96
• 重原子数：
  50.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  39.94
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-辛基十二醇 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 甲基三辛基氯化铵 、 sodium hydride 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 、 甲苯 、 paraffin oil 为溶剂， 反应 90.0h， 生成 4,7-bis(5-bromothiophen-2-yl )-2-(3,5-difluoro-4-(2-octyldodecyloxy)phenyl)-2H-benzotriazole
  参考文献：
  名称：

  Carbazole–Phenylbenzotriazole Copolymers as Absorber Material in Organic Solar Cells

  摘要：

  An alternating copolymer comprising a 2,7-functionalized carbazole donor and a 2-phenyl-2H-benzotriazole acceptor with an octyldodecyloxy substituent was synthesized. The polymer was blended with [6,6]-phenyl C-71-butyric acid methyl ester (PC71BM) and incorporated as absorber layer into solution processed organic solar cells. By adding the processing additive 1,8-diiodooctane (DIO) to the host solvent 1,2-dichlorobenzene (DCB), the solar cell fill factor increased to remarkable 70% and the power conversion efficiency approached 4.6%. Low energy scanning transmission electron microscopy (low-keV STEM) investigations indicated a finer bulk morphology of the active layer upon deposition from DCB:DIO. Further, the low-energy shoulder of the absorption spectrum was enhanced, indicating stronger polymer aggregation. According to external quantum efficiency measurements, the enhanced absorption also promoted better photon harvesting. Grazing incidence X-ray diffraction experiments revealed face-on polymer aggregates being beneficial for the vertical hole transport.

  DOI：

  10.1021/ma400440q