bis(2-(2′,4′-difluoro-3′-hexylcarbazolephenyl)-4-methylpyridinato-N,C^2′)iridium(picolinate) | 1421357-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: bis(2-(2′,4′-difluoro-3′-hexylcarbazolephenyl)-4-methylpyridinato-N,C^2′)iridium(picolinate)
• CAS: 1421357-42-7
• 化学式: C₆₆H₅₈F₄IrN₅O₂
• 分子量: 1221.43
• InChiKey: OKQBMXHCCOHOCK-UHFFFAOYSA-M

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-吡啶甲酸 、 在 sodium carbonate 作用下， 以 乙二醇乙醚 为溶剂， 反应 24.0h， 以0.46 g的产率得到bis(2-(2′,4′-difluoro-3′-hexylcarbazolephenyl)-4-methylpyridinato-N,C^2′)iridium(picolinate)
  参考文献：
  名称：

  Sky-blue phosphorescent iridium(III) complexes with two substituted 2-phenylpyridine derivatives and one picolinic acid for organic light-emitting diodes

  摘要：

  Two sky-blue phosphorescent heteroleptic cyclometalated iridium(III) complexes, bis(2-(2',4'-difluoro-3'-trifluoromethylphenyl)-4-methylpyridinato-N,C-2')iridium(picolinate) [(dfpmpyCF(3))(2)Ir(pic)] (1) and bis(2-(2',4'-difluoro-3'-hexylcarbazolephenyl)-4-methylpyridinato-N,C-2')iridium(picolinate) [(dfpmpyh-Cz)(2)Ir(pic)] (2), were synthesized and characterized. Energy transfer from the carbazol moiety to the iridium core in compound 2 resulted in higher quantum efficiency than with compound 1. The electronegative effect of the -CF3 group on the phenyl ring in the phenylpyridine main ligand resulted in a hypsochromic shift of the emitting spectra in compound 1. In contrast, the sky-blue emission without a red shift in compound 2 indicated a negligible inductive effect of the long chain hexylcarbazole unit on the electronic state of the phenyl ring. The single crystal X-ray structural analysis showed that compound 1 adopts a distorted octahedral geometry around the iridium metal exhibiting cis-C,C' and trans-N,N' chelate disposition. An electroluminescent devices using the iridium complexes as a dopant in the emitting layer has been fabricated. The best device performance based on compound 1 demonstrated a maximum luminance (L), external quantum efficiency (EQE), luminance efficiency (LE) and power efficiency (PE) of 5750 cd/m(2), 7.53%, 16.86 cd/A and 5.88 lm/W, respectively with Commission Internationale de L'Eclairage (CIE) coordinates of (0.17,0.40). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.11.016