| 1547255-54-8

• CAS: 1547255-54-8
• 化学式: C₁₂₀H₇₁CoS₂
• 分子量: 1636.01
• InChiKey: UZNZAXXMGCAIPI-TVHNDCPYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-萘二硫醚 、 [(η5-C60(C6H4nBu)5)Co(III)(trisulfide)] 以 氯苯 为溶剂， 反应 12.0h， 以50%的产率得到
  参考文献：
  名称：

  Divergent Synthesis and Tuning of the Electronic Structures of Cobalt–Dithiolene–Fullerene Complexes for Organic Solar Cells

  摘要：

  A pentakis(aryl)[60]fullerene cobalt trisulfide complex (la) was obtained from the reaction of a pentakis(aryl)[60]fullerene cobalt dicarbonyl complex (2a) with triphenylmethanethiol. This reaction proceeded smoothly even at ambient temperature to produce la in moderate to high yield. The series of pentakis(aryl)[60]fullerene cobalt dithiolene complexes 3-9 were also synthesized by the reaction of la with a variety of readily available disulfide compounds. The HOMO and LUMO levels of the complexes could be tuned by making changes to the substituents on the dithiolene ligands, with changes to the electronic structure of the compounds influencing their photovoltaic performance, especially in terms of their open-circuit voltage. Small-molecule organic solar cells. constructed from the naphthalene dithiolene complex 9 and tetrabenzoporphyrin showed a power conversion efficiency of 0.59%.

  DOI：

  10.1021/om400796p