4,7-Bis(5-bromothiophen-2-yl)-5,6-difluoro-2-methylbenzotriazole

• 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)-5,6-difluoro-2-methylbenzotriazole
• 英文别名: 4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-methylbenzotriazole
• 化学式: C₁₅H₇Br₂F₂N₃S₂
• 分子量: 491.2
• InChiKey: BYDFVKSTXQHQKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

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

  公开号：EP2711382A1

  公开（公告）日：2014-03-26

  The present invention relates to solar cells and discloses a difluoro benzotriazolyl solar cell material and preparation method and use thereof. The solar cell material is represented by formula (I), wherein both R1 and R2 are C1 to C20 alkyl, and n is an integer from 10 to 50. In the difluoro benzotriazolyl solar cell material, since the 1, 2, 3-benzotriazole solar cell material contains two fluorine atoms, the HOMO energy level is reduced by 0.11eV, while the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with electron-withdrawing ability; the fluorine-substituted 1, 2, 3-benzotriazole is a heterocyclic compound with strong electron-withdrawing ability, 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 the solar energy conversion efficiency, thus solving the low efficiency problem of solar cells made of the solar cell material.

  本发明涉及太阳能电池，公开了一种二氟苯并三唑太阳能电池材料及其制备方法和用途。该太阳能电池材料由式（I）表示、 其中，R1 和 R2 均为 C1 至 C20 烷基，n 为 10 至 50 的整数。在二氟苯并三唑太阳能电池材料中，由于 1，2，3-苯并三唑太阳能电池材料含有两个氟原子，HOMO 能级降低了 0.11eV，而氟取代的 1，2，3-苯并三唑具有两个具有抽电子能力的亚氨基；氟取代的 1，2，3-苯并三唑是一种抽电子能力很强的杂环化合物，在苯并三唑的 N-H 键的 N 位上很容易引入烷基链。烷基链的官能团可以提高太阳能转换效率，从而解决太阳能电池材料制成的太阳能电池效率低的问题。
• 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。
• DIFLUORO BENZOTRIAZOLYL ORGANIC SEMICONDUCTOR MATERIAL AND PREPARATION METHOD AND USE THEREOF
  申请人：Ocean's King Lighting Science&Technology Co., Ltd.

  公开号：EP2759558A1

  公开（公告）日：2014-07-30

  The present invention relates to solar cells and discloses a difluoro benzotriazolyl organic semiconductor material and preparation method and use thereof. The organic semiconductor material is represented by formula (I), wherein both R1 and R2 are C1 to C20 alkyl, and n is an integer from 10 to 50. In the difluoro benzotriazolyl organic semiconductor material, since the 1, 2, 3-benzotriazole organic semiconductor material contains two fluorine atoms, the HOMO energy level is reduced by 0.11eV, while the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with electron-withdrawing ability; the fluorine-substituted 1, 2, 3-benzotriazole is a heterocyclic compound with strong electron-withdrawing ability, 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 the solar energy conversion efficiency, thus solving the low efficiency problem of solar cells made of the organic semiconductor material.

  本发明涉及太阳能电池，公开了一种二氟苯并三唑基有机半导体材料及其制备方法和用途。该有机半导体材料由式（I）表示、 其中 R1 和 R2 均为 C1 至 C20 烷基，n 为 10 至 50 的整数。在二氟苯并三唑有机半导体材料中，由于 1，2，3-苯并三唑有机半导体材料含有两个氟原子，因此 HOMO 能级降低了 0.11eV，而氟取代的 1，2，3-苯并三唑具有两个具有吸电子能力的亚氨基；氟取代的 1，2，3-苯并三唑是一种具有较强吸电子能力的杂环化合物，在苯并三唑的 N-H 键的 N 位上很容易引入烷基链。烷基链的官能团可以提高太阳能转换效率，从而解决有机半导体材料制成的太阳能电池效率低的问题。
• FLUORENE-CONTAINING DIFLUORO BENZOTRIAZOLYL COPOLYMER AND PREPARATION METHOD AND USE THEREOF
  申请人：Ocean's King Lighting Science&Technology Co., Ltd.

  公开号：EP2759557A1

  公开（公告）日：2014-07-30

  The present invention relates to the field of solar cells. Disclosed are a fluorene-containing difluoro benzotriazolyl copolymer 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 fluorene-containing difluoro benzotriazolyl copolymer 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 difluoro 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.

  本发明涉及太阳能电池领域。本发明公开了一种含芴的二氟苯并三唑共聚物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。在本发明的含芴二氟苯并三唑共聚物中，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；二氟苯并三唑是具有强吸电子性的杂环化合物，苯并三唑的N-H键的N位容易引入烷基链，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。
• AMINE-CONTAINING DIFLUORO BENZOTRIAZOLYL POLYMER AND PREPARATION METHOD AND USE THEREOF
  申请人：Ocean's King Lighting Science&Technology Co., Ltd.

  公开号：EP2759559A1

  公开（公告）日：2014-07-30

  The present disclosure relates to the field of solar cells. An amine-containing difluoro benzotriazolyl polymer, preparation method, and use thereof are provided; the polymer has a structure as represented by formula (I), both R1 and R2 are alkyls from C1 to C20, n is an integer from 10 to 50. In the polymer of the present disclosure, because the 1, 2, 3-benzotriazole solar cell material contains two fluorine atoms, the HOMO energy level is reduced by 0.11eV, the fluorine-substituted 1, 2, 3-benzotriazole has two imido groups with strong electron-withdrawing property; the 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 the solar cell made from the solar cell material.

  本公开涉及太阳能电池领域。本发明提供了一种含胺二氟苯并三唑聚合物、其制备方法及其用途；该聚合物具有式（I）所表示的结构、 R1和R2均为C1至C20的烷基，n为10至50的整数。在本公开的聚合物中，由于1，2，3-苯并三唑太阳能电池材料含有两个氟原子，HOMO能级降低了0.11eV，氟取代的1，2，3-苯并三唑具有两个具有强夺电子性的酰亚胺基团；1，2，3-苯并三唑是具有强夺电子性的杂环化合物，苯并三唑的N-H键的N位容易引入烷基链；烷基链的官能团可以提高太阳能转换效率，从而解决了太阳能电池材料制成的太阳能电池效率低的问题。