[Ir(1-(4,6-difluorophenyl)-pyrazolato-C2,N)2(4,5-diaza-9,9-spirobifluorene)]hexafluorophosphate | 1015446-30-6

• 英文名称: [Ir(1-(4,6-difluorophenyl)-pyrazolato-C2,N)2(4,5-diaza-9,9-spirobifluorene)]hexafluorophosphate
• 英文别名: [Ir(dfppz)2(dasb)]PF6；[Ir(1-(4,6-difluorophenyl)-pyrazolato-C²,N)₂(4,5-diaza-9,9'-spirobifluorene)](PF₆)
• CAS: 1015446-30-6
• 化学式: C₄₁H₂₄F₄IrN₆*F₆P
• 分子量: 1013.86
• InChiKey: XVQPERZCFAPQOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 (1-(2,4-difluorophenyl)-1H-pyrazole)₂Ir(μ-Cl)₂Ir(1-(2,4-difluorophenyl)-1H-pyrazole)₂ 、 4,5-二氮-9,9-螺二芴 以 乙二醇 为溶剂， 以87%的产率得到[Ir(1-(4,6-difluorophenyl)-pyrazolato-C2,N)2(4,5-diaza-9,9-spirobifluorene)]hexafluorophosphate
  参考文献：
  名称：

  Cationic Iridium Complexes with Intramolecular π–π Interaction and Enhanced Steric Hindrance for Solid-State Light-Emitting Electrochemical Cells

  摘要：

  Cationic iridium complexes incorporated 4,5-diaza-9,9'-spirobifluorene as N<^>N ancillary ligands, in which one (2) or two (3) phenyl groups were introduced onto 4,5-diazafluorene to afford intraligand pi-pi interactions. The X-ray crystal structures of complexes 2 and 3 show that the pendant phenyl ring forms strong intramolecular face-to-face pi-stacking with the difluorophenyl ring of the cyclometalated ligand with distances of 3.38 angstrom for complex 2 and 3.40 and 3.46 angstrom for complex 3. This pi-pi stacking interaction minimizes the expansion of the metal ligand bonds in the excited state, resulting in a longer device lifetime in the light-emitting electrochemical cell (LEC) devices.

  DOI：

  10.1021/ic300673k

文献信息

• Solid-State White Light-Emitting Electrochemical Cells Using Iridium-Based Cationic Transition Metal Complexes
  作者：Hai-Ching Su、Hsiao-Fan Chen、Fu-Chuan Fang、Chih-Che Liu、Chung-Chih Wu、Ken-Tsung Wong、Yi-Hung Liu、Shie-Ming Peng

  DOI：10.1021/ja076051e

  日期：2008.3.1

  White electroluminescent (EL) emission from single-layered solid-state light-emitting electrochemical cells (LECs) based on host-guest cationic iridium complexes has been successfully demonstrated. The devices show white EL spectra (Commission Internationale de l'Eclairage coordinates ranging from (x, y) = (0.45, 0.40) to (0.35, 0.39) at 2.9-3.3 V with high color rendering indices up to 80. Peak external quantum efficiency and peak power efficiency of the white LEC reach 4% and 7.8 Im/W, respectively. These results suggest that white LECs based on host-guest cationic transition metal complexes may be a promising alternative for solid-state lighting technologies.