| 1251531-91-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1251531-91-5
• 化学式: C₁₁₂H₁₂₀B₂O₄
• 分子量: 1551.8
• InChiKey: XFENZYJCKUZZSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.62
• 重原子数：
  118.0
• 可旋转键数：
  32.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 14.33h， 以95%的产率得到
  参考文献：
  名称：

  Ambipolar Hexa-peri-hexabenzocoronene−Fullerene Hybrid Materials

  摘要：

  A new class of self-assembling hexa-peri-hexbenzocoronene (HBC)-fullerene hybrid materials has been synthesized and characterized. Photoluminescence experiments indicate that energy transfer processes can be tuned in these donor-acceptor systems by varying the length and nature of the linker group. In preliminary device testing, ambipolar charge transport behavior is observed in organic field effect transistors, while single active component organic photovoltaic devices consisting of these materials achieved a maximum external quantum efficiency of 30%.

  DOI：

  10.1021/ol102166m

文献信息

• Liquid crystalline hexa-peri-hexabenzocoronene-diketopyrrolopyrrole organic dyes for photovoltaic applications
  作者：Wallace W. H. Wong、Jegadesan Subbiah、Sreenivasa R. Puniredd、Balaji Purushothaman、Wojciech Pisula、Nigel Kirby、Klaus Müllen、David J. Jones、Andrew B. Holmes

  DOI：10.1039/c2jm34394k

  日期：——

  A series of liquid crystalline organic dyes consisting of fluorenyl hexa-peri-hexabenzocoronene (FHBC) and diketopyrrolopyrrole (DPP) units was synthesised and characterised. Their thermotropic behaviour is a result of the strong π–π association between FHBC units while the DPP unit enhances light absorption. With small changes in the molecular structure, significant differences in molecular organisation were observed in solid state. In turn, the molecular arrangement led to variations in the semiconducting properties of these materials and, ultimately, their performance in organic solar cells.

  我们合成了一系列液晶有机染料，它们由芴基六-过-六苯并硼烯（FHBC）和二酮吡咯并吡咯（DPP）单元组成，并对其进行了表征。它们的热致性是 FHBC 单元之间强 π-π 关联的结果，而 DPP 单元则增强了光吸收。随着分子结构的微小变化，在固态下观察到了分子组织的显著差异。反过来，分子排列导致了这些材料半导体特性的变化，并最终影响了它们在有机太阳能电池中的性能。