(E)-2,5-dibromo-3-(2-(pyren-1-yl)vinyl)thiophene | 1145777-47-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (E)-2,5-dibromo-3-(2-(pyren-1-yl)vinyl)thiophene
• 英文别名: 2,5-dibromo-3-[(E)-2-pyren-1-ylethenyl]thiophene
• CAS: 1145777-47-4
• 化学式: C₂₂H₁₂Br₂S
• 分子量: 468.211
• InChiKey: UVMYJJAPBMFQEK-WEVVVXLNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (2,5-二溴噻吩-3-基)甲基磷酸二乙酯 、 1-芘甲醛 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以70%的产率得到(E)-2,5-dibromo-3-(2-(pyren-1-yl)vinyl)thiophene
  参考文献：
  名称：

  Synthesis and photovoltaic properties of two-dimensional D-A copolymers with conjugated side chains

  摘要：

  AbstractFour novel two‐dimensional (2D) donor–acceptor (D‐A) type copolymers with different conjugated side chains, P1, P2, P3, and P4 (see Fig. 1), are designed and synthesized for the application as donor materials in polymer solar cells (PSCs). To the best of our knowledge, there were few reports to systematically study such 2D polymers with D‐A type main chains in this area. The optical energy band gaps are about 2.0 eV for P1–P3 and 1.67 eV for P4. PSC devices using P1–P4 as donor and [6,6]‐phenyl‐C61‐butyric acid methyl ester as acceptor in a weight ratio of 1:3 were fabricated and characterized to investigate the photovoltaic properties of the polymers. Under AM 1.5 G, 100 mA/cm2 illumination, a high open‐circuit voltage (Voc) of 0.9 V was recorded for P3‐based device due to its low HOMO level, and moderate fill factor was obtained with the best value of 58.6% for P4‐based device, which may mainly be the result of the high hole mobility of the polymers (up to 1.82 × 10−3 cm2/V s). © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011

  DOI：

  10.1002/pola.24823