N2，N2'，N7，N7'-四（2-甲氧基苯基）-N2，N2'，N7，N7'-四（4-甲氧基苯基）-9,9'-螺双[芴]-2,2'，7，7'-四胺 | 1628961-22-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N2，N2'，N7，N7'-四（2-甲氧基苯基）-N2，N2'，N7，N7'-四（4-甲氧基苯基）-9,9'-螺双[芴]-2,2'，7，7'-四胺
• 英文名称: N²,N²,N^2',N^2',N⁷,N⁷,N^7',N^7'-octakis(2-methoxypheny)-9,9'-spirobi[fluorene]-2,2',7,7'-tetraamine
• 英文别名: N2,N2',N7,N7'-tetrakis(2-methoxyphenyl)-N2,N2',N7,N7'-tetrakis(4-methoxyphenyl)-9,9'spirobi[fluorene]-2,2',7,7'-tetraamine；,N7'-Tetrakis(2-methoxyphenyl)-N2；2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
• CAS: 1628961-22-7
• 化学式: C₈₁H₆₈N₄O₈
• 分子量: 1225.45
• InChiKey: KSSJBGNOJJETTC-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  19.1
• 重原子数：
  93
• 可旋转键数：
  20
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  86.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-甲氧基-N-(4-甲氧基苯基)苯胺 、 2,2',7,7'-四溴-9,9'-螺二芴 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以40%的产率得到N2，N2'，N7，N7'-四（2-甲氧基苯基）-N2，N2'，N7，N7'-四（4-甲氧基苯基）-9,9'-螺双[芴]-2,2'，7，7'-四胺
  参考文献：
  名称：

  o-Methoxy Substituents in Spiro-OMeTAD for Efficient Inorganic–Organic Hybrid Perovskite Solar Cells

  摘要：

  Three spiro-OMeTAD derivatives have been synthesized and characterized by H-1/C-13 NMR spectroscopy and mass spectrometry. The optical and electronic properties of the derivatives were modified by changing the positions of the two methoxy substituents in each of the quadrants, as monitored by UV-vis spectroscopy and cyclic voltammetry measurements. The derivatives were employed as hole-transporting materials (HTMs), and their performances were compared for the fabrication of mesoporous TiO2/CH3NH3PbI3/HTM/Au solar cells. Surprisingly, the cell performance was dependent on the positions of the OMe substituents. The derivative with o-OMe substituents showed highly improved performance by exhibiting a short-circuit current density of 21.2 mA/cm(2), an open-circuit voltage of 1.02 V, and a fill factor of 77.6% under 1 sun illumination (100 mW/cm(2)), which resulted in an overall power conversion efficiency (PCE) of 16.7%, compared to similar to 15% for conventional p-OMe substituents. The PCE of 16.7% is the highest value reported to date for perovskite-based solar cells with spiro-OMeTAD.

  DOI：

  10.1021/ja502824c

文献信息

• HOLE-TRANSPORTING MATERIAL FOR INORGANIC/ORGANIC HYBRID PEROVSKITE SOLAR CELLS
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20150311440A1

  公开（公告）日：2015-10-29

  Provided is a hole-transporting compound having a novel structure, and more particularly, a hole-transporting compound for an inorganic/organic hybrid perovskite solar cell. An inorganic/organic hybrid perovskite-based solar cell using the hole-transporting compound according to the present invention has significantly high power generation efficiency.

  提供的是一种具有新结构的空穴传输化合物，更具体地说，是一种用于无机/有机杂化钙钛矿太阳能电池的空穴传输化合物。根据本发明使用空穴传输化合物的无机/有机杂化钙钛矿太阳能电池具有显著的高发电效率。
• KR2015/124397
  申请人：——

  公开号：——

  公开（公告）日：——
• US9437825B2
  申请人：——

  公开号：US9437825B2

  公开（公告）日：2016-09-06