| 1469752-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• CAS: 1469752-48-4
• 化学式: C₃₆H₅₈S₂
• 分子量: 554.989
• InChiKey: XPHHZYKBDQACNE-UHFFFAOYSA-N

物化性质

• 沸点：
  636.2±50.0 °C(Predicted)
• 密度：
  0.980±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.53
• 重原子数：
  38.0
• 可旋转键数：
  22.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 三甲基氯化锡 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  两种给体-受体聚合物物理掺合与各部分化学掺合的比较光伏研究

  摘要：

  由两种具有互补吸收的供体-受体聚合物的组成单元合成了规则的交替三元共聚物和无规三元共聚物。然后将它们与这两种供体-受体聚合物的物理混合物进行比较，以研究扩大体异质结（BHJ）太阳能电池光吸收范围的最佳方法。虽然所有这三种方法都扩大了光吸收范围，但物理共混物在功率转换效率方面提供了最佳的改进（无规和常规三元共聚物分别为4.10％和3.63％和2.67％）。这是由于物理共混物中聚集的增加，如UV-vis光谱所示，这可能导致较高的局部迁移率和较少的重组。

  DOI：

  10.1021/acs.macromol.5b02586
• 作为产物：
  描述：

  5-ethynylundecane 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 异丙基氯化镁 、 tin(ll) chloride 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Influence of Incorporating Different Electron-Rich Thiophene-Based Units on the Photovoltaic Properties of Isoindigo-Based Conjugated Polymers: An Experimental and DFT Study

  摘要：

  A series of novel donor-acceptor conjugated alternating copolymers based on the isoindigo acceptor moiety have been designed, synthesized, and characterized, in order to explore the potential of isoindigo for efficient donor materials with high photovoltages in solar cells. We have systematically investigated and discussed the effect of combining different electron-rich thiophene-based units on the structural, optical, electronic, and photovoltaic properties of the resulting polymers. Morphological studies and quantum-chemical calculations are carried out to gain insights into the different properties. The power conversion efficiencies (PCEs) of the solar cells based on these polymers are increased step by step by over 3-fold through a rational structural modification. Among them, PBDTA-MIM shows a PCE of 5.4%, which is to our knowledge the best result achieved among isoindigo-based polymers for solar cells combined with PC61BM as the acceptor using the conventional device configuration. Our results further emphasize the use of isoindigo as an effective acceptor unit and highlight the importance of carefully choosing appropriate chemical structure to design efficient donor-acceptor polymers for organic solar cells. In addition, the resulting low optical gaps, the promising PCEs with PC61BM as the acceptor, and the good open-circuit voltages (up to 0.8 V) synergistically demonstrate the potential of this class of polymers as donor materials for bottom subcells in organic tandem solar cells.

  DOI：

  10.1021/ma401691r