| 1221911-70-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1221911-70-1
• 化学式: C₂₉H₁₆O₃S₅
• 分子量: 572.774
• InChiKey: HKCODAJUNUHYSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.07
• 重原子数：
  37.0
• 可旋转键数：
  1.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 氰乙酸 在 哌啶 、 盐酸 作用下， 以 乙腈 、 二氯甲烷 、 水 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Efficient Electron Transfer and Sensitizer Regeneration in Stable π-Extended Tetrathiafulvalene-Sensitized Solar Cells

  摘要：

  The development of metal-free organic sensitizers is a key issue in dye-sensitized solar cell research. We report successful photovoltaic conversion with a new class of stable tetrathiafulvalene derivatives, showing surprising electrochemical and kinetic properties. With time-resolved spectroscopy we could observe highly efficient regeneration of the photo-oxidized tetrathiafulvalene sensitizers, which were attached to a mesoporous TiO2 film, by a redox mediator in the pores (iodide/tri-iodide), even though the measured driving force for regeneration was only similar to 150 mV. This important proof-of-concept shows that sensitizers with a small driving force, i.e. the oxidation potential of the sensitizer is separated from the redox potenial of the mediator by as little as 150 mV, can operate functionally in dye-sensitized solar cells and eventually aid to reduce photovoltage losses due to poor energetic alignment of the materials.

  DOI：

  10.1021/ja909291h
• 作为产物：
  描述：

  2-ethynyl-9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene 、 5-溴-2-（3,4-乙烯基双氧噻吩）甲醛 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以56%的产率得到
  参考文献：
  名称：

  Efficient Electron Transfer and Sensitizer Regeneration in Stable π-Extended Tetrathiafulvalene-Sensitized Solar Cells

  摘要：

  The development of metal-free organic sensitizers is a key issue in dye-sensitized solar cell research. We report successful photovoltaic conversion with a new class of stable tetrathiafulvalene derivatives, showing surprising electrochemical and kinetic properties. With time-resolved spectroscopy we could observe highly efficient regeneration of the photo-oxidized tetrathiafulvalene sensitizers, which were attached to a mesoporous TiO2 film, by a redox mediator in the pores (iodide/tri-iodide), even though the measured driving force for regeneration was only similar to 150 mV. This important proof-of-concept shows that sensitizers with a small driving force, i.e. the oxidation potential of the sensitizer is separated from the redox potenial of the mediator by as little as 150 mV, can operate functionally in dye-sensitized solar cells and eventually aid to reduce photovoltage losses due to poor energetic alignment of the materials.

  DOI：

  10.1021/ja909291h