[IrCl(2-methoxy-6-methyl-2-(naphthalene-2-yl)pyridine(-H))2]2 | 1313187-25-5

• 英文名称: [IrCl(2-methoxy-6-methyl-2-(naphthalene-2-yl)pyridine(-H))2]2
• CAS: 1313187-25-5
• 化学式: C₆₈H₅₆Cl₂Ir₂N₄O₄
• 分子量: 1448.56
• InChiKey: MGNGQQJIMYJYNO-UHFFFAOYSA-L

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：

  [IrCl(2-methoxy-6-methyl-2-(naphthalene-2-yl)pyridine(-H))2]2 、 乙酰丙酮 在 K₂CO₃ 作用下， 以 乙二醇乙醚 为溶剂， 以82%的产率得到[Ir(acetylacetone(-H))(2-methoxy-6-methyl-2-(naphthalene-2-yl)pyridine(-H))2]
  参考文献：
  名称：

  Synthesis, structures and properties of new cyclometalated iridium(III) complexes of 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine

  摘要：

  The reaction between 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 1 and IrCl3 was performed in an attempt to synthesize a cyclometalated Ir(III) Cl-bridged dimer 2. An unexpected Ir(III) complex 3 was isolated, which was a five-coordinate bis-cyclometalated Ir(III) complex. The complexes 2 and 3 were converted to the same mononuclear complex 4 upon reacting with acetylacetonate (acac), respectively. All of the new compounds have been fully characterized by elemental analysis, IR, H-1, C-13{H-1} NMR and ESI-MS. Additionally, the crystal structures and properties of these Ir(III) complexes are investigated. The most striking common features of the structures of 2 and 3 is intramolecular C-H center dot center dot center dot Cl hydrogen bonds. The complex 4 shows yellow phosphorescence with structureless emission peaks at about 556 nm. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.04.004
• 作为产物：
  描述：

  3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 、 三氯化铱 以 乙二醇乙醚 、 水 为溶剂， 以52%的产率得到[IrCl(2-methoxy-6-methyl-2-(naphthalene-2-yl)pyridine(-H))2]2
  参考文献：
  名称：

  Synthesis, structures and properties of new cyclometalated iridium(III) complexes of 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine

  摘要：

  The reaction between 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 1 and IrCl3 was performed in an attempt to synthesize a cyclometalated Ir(III) Cl-bridged dimer 2. An unexpected Ir(III) complex 3 was isolated, which was a five-coordinate bis-cyclometalated Ir(III) complex. The complexes 2 and 3 were converted to the same mononuclear complex 4 upon reacting with acetylacetonate (acac), respectively. All of the new compounds have been fully characterized by elemental analysis, IR, H-1, C-13{H-1} NMR and ESI-MS. Additionally, the crystal structures and properties of these Ir(III) complexes are investigated. The most striking common features of the structures of 2 and 3 is intramolecular C-H center dot center dot center dot Cl hydrogen bonds. The complex 4 shows yellow phosphorescence with structureless emission peaks at about 556 nm. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.04.004