4,7-Bis(5-bromothiophen-2-yl)-2-decyl-5,6-difluorobenzotriazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 4,7-Bis(5-bromothiophen-2-yl)-2-decyl-5,6-difluorobenzotriazole
• 英文别名: 4,7-bis(5-bromothiophen-2-yl)-2-decyl-5,6-difluorobenzotriazole
• 化学式: C₂₄H₂₅Br₂F₂N₃S₂
• 分子量: 617.4
• InChiKey: WYEWCMMFQWQDMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• DIFLUORO BENZOTRIAZOLYL SOLAR CELL POLYMERIC MATERIAL AND PREPARATION METHOD AND USE THEREOF
  申请人：Ocean's King Lighting Science&Technology Co., Ltd.

  公开号：EP2759556A1

  公开（公告）日：2014-07-30

  Disclosed are a difluoro benzotriazolyl solar cell polymeric material and preparation method and use thereof; the copolymer has a structure as represented by formula (I), wherein both R1 and R2 are alkyls from C1 to C20, and n is an integer from 10 to 100. In the difluoro benzotriazolyl solar cell polymeric material of the present invention, because the 1, 2, 3-benzotriazole copolymer contains two fluorine atoms, the HOMO energy level will be reduced by 0.11 eV while the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with strong electron -withdrawing property; the fluorine-substituted 1, 2, 3-benzotriazole is a heterocyclic compound with strong electron-withdrawing property, and an alkyl chain can be easily introduced to the N-position of the N-H bond of the benzotriazole; the functional group of the alkyl chain can improve solar energy conversion efficiency, thus solving the low efficiency problem of polymer solar cells.

  本发明公开了一种二氟苯并三唑太阳能电池聚合物材料及其制备方法和用途；该共聚物具有式（I）表示的结构，其中R1和R2均为C1至C20的烷基，n为10至100的整数。在本发明的二氟苯并三唑太阳能电池聚合物材料中，由于 1，2，3-苯并三唑共聚物含有两个氟原子，HOMO 能级将降低 0.11 eV，而氟取代的1，2，3-苯并三唑具有两个具有强吸电子性的亚氨基；氟取代的1，2，3-苯并三唑是具有强吸电子性的杂环化合物，在苯并三唑的N-H键的N位上容易引入烷基链，烷基链的官能团可以提高太阳能转换效率，从而解决聚合物太阳能电池效率低的问题。
• US8816043B2
  申请人：——

  公开号：US8816043B2

  公开（公告）日：2014-08-26