2,3-bis(4-(3,7-dimethyloctyloxy)phenyl)-5,8-bis(5'-bromodithien-2-yl)quinoxaline | 1314504-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,3-bis(4-(3,7-dimethyloctyloxy)phenyl)-5,8-bis(5'-bromodithien-2-yl)quinoxaline
• CAS: 1314504-33-0
• 化学式: C₄₈H₅₆Br₂N₂O₂S₂
• 分子量: 916.925
• InChiKey: WCXBPWGMTVAPNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.41
• 重原子数：
  56.0
• 可旋转键数：
  20.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44.24
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3,6-二溴-1,2-苯二胺 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 溶剂黄146 作用下， 以 甲醇 、 氯仿 、 甲苯 为溶剂， 反应 31.33h， 生成 2,3-bis(4-(3,7-dimethyloctyloxy)phenyl)-5,8-bis(5'-bromodithien-2-yl)quinoxaline
  参考文献：
  名称：

  Synthesis and Photovoltaic Properties of Quinoxaline-Based Alternating Copolymers for High-Efficiency Bulk-Heterojunction Polymer Solar Cells

  摘要：

  A series of quinoxaline-based copolymers, namely, poly[N-9 ''-heptadecanyl-2,7-carbazole-alt-5,5-(5',8'-di-2-thienyl-quinoxaline)] (P1), poly[N-9 ''-heptadecanyl-2,7-carbazole-alt-5,5- (5',8'-di-2-thienyl-2,3-bis (4-octyloxyl)phenyl)quinoxaline] (P2), and poly[N-9 ''-heptadecanyl-2,7-carbazole-alt-5,5-(5',8'-di-2-thienyl-2,3-bis(4-(3,7-dimethyloctyloxy)pheny)quinoxaline] (P3), were synthesized and characterized for use in polymer solar cells (PSCs). We describe the effect of modifying the alkyl group of the side chain of the quinoxaline derivatives on the electronic and optoelectronic properties of the polymers. The field-effect hole mobility as well as the electronic energy levels and processability of the materials for PSC applications were investigated. Among the studied quinoxaline-based copolymers, P2 showed the best photovoltaic performance with an open-circuit voltage (V(OC)) of 0.82 V, a short-circuit current density (J(SC)) of 9.96 mA/cm(2), a fill. factor (FF) of 0.49, and a power-conversion efficiency of 4.0% when a P2/PC(71)BM blend film was used as the active layer under AM 1.5 G irradiation (100 mW/cm(2)).

  DOI：

  10.1021/ma102943g