5,8-双(5-溴-2-噻吩基)-喹喔啉 | 1007128-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 5,8-双(5-溴-2-噻吩基)-喹喔啉
• 英文名称: 5,8-bis(5-bromo-2-thienyl)quinoxaline
• 英文别名: 5,8-bis(5-bromothiophen-2-yl)quinoxaline
• CAS: 1007128-59-7
• 化学式: C₁₆H₈Br₂N₂S₂
• 分子量: 452.193
• InChiKey: VTBDKHNCZXBYAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,8-dithienylquinoxaline 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 邻二氯苯 为溶剂， 反应 3.0h， 以70%的产率得到5,8-双(5-溴-2-噻吩基)-喹喔啉
  参考文献：
  名称：

  Toward a Rational Design of Poly(2,7-Carbazole) Derivatives for Solar Cells

  摘要：

  On the basis of theoretical models and calculations, several alternating polymeric structures have been investigated to develop optimized poly(2,7-carbazole) derivatives for solar cell applications. Selected low band gap alternating copolymers have been obtained via a Suzuki coupling reaction. A good correlation between DFT theoretical calculations performed on model compounds and the experimental HOMO, LUMO, and band gap energies of the corresponding polymers has been obtained. This study reveals that the alternating copolymer HOMO energy level is mainly fixed by the carbazole moiety, whereas the LUMO energy level is mainly related to the nature of the electron-withdrawing comonomer. However, solar cell performances are not solely driven by the energy levels of the materials. Clearly, the molecular weight and the overall organization of the polymers are other important key parameters to consider when developing new polymers for solar cells. Preliminary measurements have revealed hole mobilities of about 1 x 10(-3) cm(2).V-1.s(-1) and a power conversion efficiency (PCE) up to 3.6%. Further improvements are anticipated through a rational design of new symmetric low band gap poly(2,7-carbazole) derivatives.

  DOI：

  10.1021/ja0771989

文献信息

• COPOLYMER AND ORGANIC SOLAR CELL COMPRISING SAME
  申请人：LG Chem, Ltd.

  公开号：EP3009463A1

  公开（公告）日：2016-04-20

  The present specification provides a copolymer and an organic solar cell including the same.

  本说明书提供了一种共聚物和包括该共聚物的有机太阳能电池。
• MATERIAL FOR PHOTOVOLTAIC DEVICE, AND PHOTOVOLTAIC DEVICE
  申请人：Kitazawa Daisuke

  公开号：US20110272030A1

  公开（公告）日：2011-11-10

  A photovoltaic device has a high photoelectric conversion efficiency with a material for a photovoltaic device including an electron donating organic material having a structure represented by Formula (1):
• POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS
  申请人：Heun Susanne

  公开号：US20120108731A1

  公开（公告）日：2012-05-03

  The present invention relates to polymers comprising substituted anthracenyl units and to blends which comprise the polymers according to the invention. The invention is also directed to the use of the polymers and blends according to the invention in organic electronic devices and to these devices themselves.
• POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS
  申请人：Anémian Rémi Manouk

  公开号：US20130126855A1

  公开（公告）日：2013-05-23

  The present invention relates to polymers containing substituted benzodithiophene units and to blends which comprise the polymers according to the invention. The invention is also directed to the use of the polymers and blends according to the inven-tion in organic electronic devices and to these devices themselves.
• ELECTRO-OPTICAL DEVICE AND THE USE THEREOF
  申请人：MERCK PATENT GMBH

  公开号：US20160163987A1

  公开（公告）日：2016-06-09

  The present invention relates to an electro-optical device containing a) an anode, b) a cathode and c) at least one first emitter layer arranged between anode and cathode, containing at least one semiconducting, organic material, said device being characterized in that at least one second emitter layer comprising at least one polymer having hole-conducting properties and at least one emitter is arranged between the first emitter layer and the anode, and to the use thereof. The use of two emitter layers allows simple production from solution, and the production of electroluminescence devices having broadband emission.