didodecyl benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylate | 1313404-20-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: didodecyl benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylate
• 英文别名: Didodecyl benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylate；didodecyl thieno[2,3-f][1]benzothiole-4,8-dicarboxylate
• CAS: 1313404-20-4
• 化学式: C₃₆H₅₄O₄S₂
• 分子量: 614.954
• InChiKey: NLCUSGHRHXNQGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  42
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  didodecyl benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylate 在 正丁基锂 、 溴 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 2,6-bis(trimethylstannyl)-4,8-benzo[1,2-b:4,5-b']dithiophenedicarboxylic acid dodecyl ester
  参考文献：
  名称：

  [EN] NOVEL PHOTOACTIVE POLYMERS
  [FR] NOUVEAUX POLYMÈRES PHOTOACTIFS

  摘要：

  公开号：

  WO2012149189A3
• 作为产物：
  描述：

  3-噻吩丙二酸 在 甲烷磺酸 、 iron(III) perchlorate 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 100.0h， 生成 didodecyl benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylate
  参考文献：
  名称：

  [EN] NOVEL PHOTOACTIVE POLYMERS
  [FR] NOUVEAUX POLYMÈRES PHOTOACTIFS

  摘要：

  公开号：

  WO2012149189A3

文献信息

• Photovoltaic Cell Containing Novel Photoactive Polymer
  申请人：WEN Li

  公开号：US20130167929A1

  公开（公告）日：2013-07-04

  Novel photoactive polymers, as well as related photovoltaic cells, articles, systems, and methods, are disclosed.

  本发明揭示了新型光活性聚合物，以及相关的光伏电池、文章、系统和方法。
• Novel Photoactive Polymers
  申请人：Merck Patent GmbH

  公开号：US20140053905A1

  公开（公告）日：2014-02-27

  This disclosure relates to a photovoltaic cell that includes a first electrode, a second electrode, and a photoactive layer disposed between the first and second electrodes. The photoactive layer includes a photoactive polymer containing a first monomer repeat unit, which contains a moiety of formula (1): in which A and R are defined in the specification.

  本公开涉及一种光伏电池，包括第一电极、第二电极和位于第一和第二电极之间的光活性层。光活性层包括一种光活性聚合物，该聚合物包含第一单体重复单元，其中包含式（1）的基团：其中A和R在规范中有定义。
• Photoactive polymers
  申请人：Merck Patent GmbH

  公开号：US08883954B2

  公开（公告）日：2014-11-11

  A photovoltaic cell is provided that includes a first electrode, a second electrode, and a photoactive layer disposed between the first and second electrodes. The photoactive layer includes a photoactive polymer containing a first monomer repeat unit, which contains a moiety of formula (1): in which A and R are defined in the specification.

  提供了一种光伏电池，包括第一电极、第二电极和位于第一和第二电极之间的光活性层。光活性层包括含有第一单体重复单元的光活性聚合物，其中第一单体重复单元包含式（1）的基团： 其中，A和R在规范中有定义。
• PHOTOVOLTAIC CELL WITH BENZODITHIOPHENE-CONTAINING POLYMER
  申请人：Byrne Paul

  公开号：US20140124035A1

  公开（公告）日：2014-05-08

  Benzodithiophene-containing polymers, as well as related photovoltaic cells, articles, systems, and methods, are disclosed.

  本发明公开了含苯并噻吩的聚合物，以及相关的光伏电池、器件、系统和方法。
• Syntheses and Photovoltaic Properties of Narrow Band Gap Donor–Acceptor Copolymers with Carboxylate-Substituted Benzodithiophene as Electron Acceptor Unit
  作者：Kosuke Shibasaki、Kenichi Tabata、Yohei Yamamoto、Takeshi Yasuda、Masashi Kijima

  DOI：10.1021/ma501078e

  日期：2014.8.12

  Stile-coupling of carboxylate-substituted dibrominated benzodithiophene (BDTC) with 2,5-distannylthieno-[3,4-b]thiophene gave novel donor acceptor type alternating copolymers, PBDTC-TT, where BDTC works as an electron-accepting unit in the polymers. They showed broad absorption bands from 500 nm to the near-infrared region, optical band gap (E-g) about 1.5 eV, small pi-stacking distance (3.6 angstrom), and good thermal stability. The hole mobilities of PBDTC-TT determined from performance of their organic field-effect transistors were 3.1-6.9 x 10(-4) (cm(2) V-1 s(-1)). The bulk heterojunction (BHJ) solar cells were fabricated with configuration of ITO/PEDOT:PSS/polymer:PC70BM/LiF/Al. A PBDTC-TT device exhibited photocurrent response upon exposure to light with wavelength of 300-900 nm and incident photon to current conversion efficiency over 40% in the range of 400-750 nm. The power conversion efficiency of the best-performed device reached 3.03% with short-circuit current density of 12.54 mA cm(-2), fill factor of 0.48, and open circuit voltage of 0.51 V under illumination of AM 1.5 G/100 mW cm(-2). These results show that the BDTC unit can behave as an electron accepting building block for donor acceptor type narrow band gap polymers, and these types of polymers can be used as a donor material in the active layer for BHJ photovoltaic cells.