双(2-苯并[h]喹啉-C2,N')(乙酰丙酮)合铱(III) | 337526-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 中文名称: 双(2-苯并[h]喹啉-C2,N')(乙酰丙酮)合铱(III)
• 中文别名: 双(2-苯并[H]喹啉-C2,N')(乙酰丙酮)合铱(III)
• 英文名称: iridium(III) bis(7,8-benzoquinolinato-N,C3') acetylacetonate
• 英文别名: [(acetylacetonato)bis(benzoquinolinato-C²,N)iridium(III)] hexafluorophosphate；[Ir(acetylacetonate)(dibenzoylmethane)2]；(bzq)2Ir(acac)
• CAS: 337526-87-1；907590-93-6
• 化学式: C₃₁H₂₃IrN₂O₂
• 分子量: 647.756
• InChiKey: QTOPPMIRVMWCNE-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

• 作为反应物：
  描述：

  7,8-苯并喹啉 、 双(2-苯并[h]喹啉-C2,N')(乙酰丙酮)合铱(III) 以 甘油 为溶剂， 以75%的产率得到iridium(III) tris(7,8-benzoquinolinate-N,C2')
  参考文献：
  名称：

  Synthesis and Characterization of Phosphorescent Cyclometalated Iridium Complexes

  摘要：

  The preparation, photophysics, and solid state structures of octahedral organometallic Ir complexes with several different cyclometalated ligands are reported. LrCl3 . nH(2)O cleanly cyclometalates a number of different compounds (i.e., 2-phenylpyridine, 2-(p-tolyl)pyridine, benzoquinoline, 2-phenylbenzothiazole, 2-(1-naphthyl)benzothiazole, and 2-phenylquinoline), forming the corresponding chloride-bridged dimers, C boolean ANDN(2)Ir(mu -Cl)(2)IrC boolean ANDN(2) (C boolean AND Nis a cyclometalated ligand) in good yield. These chloride-bridged dimers react with acetyl acetone (acacH) and other bidentate, monoanionic ligands such as picolinic acid (picH) and N-methylsalicylimine (salH)\ to give monomeric C boolean ANDN(2)Ir(LX) complexes (LX = acac, pie, sal). The emission spectra of these complexes are largely governed by the nature of the cyclometalating ligand, leading to lambda (max) values from 510 to 606 nm for the complexes reported here. The strong spin-orbit coupling of iridium mixes the formally forbidden (MLCT)-M-3 and 3 pi-pi* transitions with the allowed (MLCT)-M-1, leading to a strong phosphorescence with good quantum efficiencies (0.1-0.4) and room temperature lifetimes in the microsecond regime. The emission spectra of the C boolean ANDN(2)Ir(LX) complexes are surprisingly similar to the fac-IrC boolean ANDN(3) complex of the same ligand, even though the structures of the two complexes are markedly different. The crystal structures of two of the C boolean ANDN(2)Ir(acac) complexes (i.e., C boolean ANDN = ppy and tpy) have been determined. Both complexes show cis-C,C', trans-N,N' disposition of the two cyclometalated ligands, similar to the structures reported for other complexes with a "C boolean ANDN(2)Ir" fragment. NMR data (H-1 and C-13) support a similar structure for all of the C boolean ANDN(2)Ir(LX) complexes. Close intermolecular contacts in both (ppy)(2)Ir(acac) and (tpy)(2)Ir(acac) lead to significantly red shifted emission spectra for crystalline samples of the ppy and tpy complexes relative to their solution spectra.

  DOI：

  10.1021/ic0008969
• 作为产物：
  描述：

  7,8-苯并喹啉 在 potassium carbonate 作用下， 以 乙二醇乙醚 、 乙二醇甲醚 、 水 为溶剂， 反应 38.0h， 生成 双(2-苯并[h]喹啉-C2,N')(乙酰丙酮)合铱(III)
  参考文献：
  名称：

  Iridium complexes inhibit tumor necrosis factor-α by utilizing light and mixed ligands

  摘要：

  We report herein a large study of the inhibition of tumor necrosis factor-alpha with 51 iridium(III) complexes, thus highlighting the influence of the nature of the ligands around the metal, their synergic effect and the role of the light. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2016.02.001