bis[2-cyclohexenyl-1-phenyl-1H-benzo[d]imidazole][2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridinate]iridium(III) | 1491136-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: bis[2-cyclohexenyl-1-phenyl-1H-benzo[d]imidazole][2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridinate]iridium(III)
• 英文别名: [(cyclopbi)₂IrCF₃]
• CAS: 1491136-37-8
• 化学式: C₄₇H₃₉F₃IrN₇
• 分子量: 951.089
• InChiKey: DKBIRIRODCGNTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  、 2-(5-(三氟甲基)-1H-吡唑-3-基)吡啶 在 sodium carbonate 作用下， 以 乙二醇乙醚 为溶剂， 反应 12.0h， 以0.52 g的产率得到bis[2-cyclohexenyl-1-phenyl-1H-benzo[d]imidazole][2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridinate]iridium(III)
  参考文献：
  名称：

  Greenish yellow organic light emitting devices based on novel iridium complexes containing 2-cyclohexenyl-1-phenyl-1H-benzo[d]imidazole

  摘要：

  2-Cyclohexenyl-1-phenyl-1H-benzo[d]imidazole (Hcyclopbi) and its heterocyclometalated iridium complexes bis[2-cyclohexenyl-1-phenyl-1H-benzo[d]imidazole](acetylacetonate)iridium(III) [(cyclopbi)(2)Iracac] and bis[2-cyclohexenyl-1-phenyl-1H-benzo[d]imidazole][2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridinate]iridium(III) [(cyclopbi)(2)IrCF3] were firstly designed and synthesized. Owing to the strong electron withdrawing ability of 2-(3-(trifluoromethyl)-1H-pyrazol) compared to that of acetylacetonate, blue shifted phosphorescence 542 nm was obtained for (cyclopbi)(2)IrCF3 compared to that of (cyclopbi)(2)Iracac 545 nm with photoluminescence quantum yields (phi) 0.22 and 0.25, respectively, as well the highest occupied molecular orbit (HOMO) energy level was estimated to be -5.10 eV for (cyclopbi)(2)IrCF3, 0.19 eV lower than that of -4.91 eV for (cyclopbi)(2)Iracac. When (cyclopbi)(2)Iracac was doped into 4,4'-bis(9H-carbazol-9-yl)biphenyl (CBP) as the emitting layer, high efficiency organic light emitting devices (OLEDs) were obtained with maximum current efficiency (eta(c)) 22.3 cd/A at 3.1 mA/cm(2) and maximum brightness 16,300 cd/m(2) at 171.6 mA/cm(2), which were comparable to those of bis(2-phenylpyridine)(acetylacetonate)iridium(III) [(ppy)(2)Iracac] with the same device structure. This results indicate that (cyclopbi)(2)Iracac and (cyclopbi)(2)IrCF3 are potential phosphorescent dyes used for OLEDs. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.08.011