(4,8-bis((2-butyloctyl)thio)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane) | 1588990-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (4,8-bis((2-butyloctyl)thio)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane)
• CAS: 1588990-96-8
• 化学式: C₄₀H₇₀S₄Sn₂
• 分子量: 916.68
• InChiKey: AIPVRDOLIKQYSA-UHFFFAOYSA-N

物化性质

• 沸点：
  772.7±70.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.94
• 重原子数：
  46.0
• 可旋转键数：
  24.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4,8-bis(N,N'-dimethylthiocarbamoylthio)benzo[1,2-b:4,5-b']dithiophene 在 lithium aluminium tetrahydride 、 正丁基锂 、 12-冠醚-4 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 (4,8-bis((2-butyloctyl)thio)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane)
  参考文献：
  名称：

  Tuning Fluorinated Benzotriazole Polymers through Alkylthio Substitution and Selenophene Incorporation for Bulk Heterojunction Solar Cells

  摘要：

  As a high-performing, medium band gap donor polymer achieving over 7% in bulk heterojunction (BHJ) solar cells with a thick active layer, PBnDT-FTAZ has demonstrated unique photovoltaic properties that have not yet been fine-tuned. In this study, three new polymers (PSBnDT-FTAZ, PBnDT-SeFTAZ, and PSBnDT-SeFTAZ) are designed to determine how the FTAZ system would respond to further structural modifications. Specifically, we aimed to answer (a) whether alkylthio substitution could increase the open circuit voltage (V-oc) of the related BHJ device and (b) whether selenophene incorporation could decrease the band gap of the FTAZ polymer and lead to an improved short circuit current (J(sc)), while PBnDT-FTAZ's other desirable attributes (high fill factor and thick active layer) could still be retained. We found that although the V-oc of the alkylthio-substituted polymers (PSBnDT-FTAZ and PSBnDT-SeFTAZ) did not appreciably increase, selenophene-incorporated polymers (PBnDT-SeFTAZ and PSBnDT-SeFTAZ) indeed showed lowered band gaps of 1.7 eV. In particular, the smaller band gap of PBnDT-SeFAZ led to a larger J(sc) in its BHJ solar cells than that of the original PBnDT-FTAZ solar cells. Each polymer reached moderate efficiencies (1.87-5.72%) while retaining a thick active layer (similar to 300 nm), demonstrating the further potential of the FTAZ system for organic photovoltaics.

  DOI：

  10.1021/ma5001095