[Ir((MeO)2pypy)2(μ-Cl)]2 | 1377250-24-2

• 英文名称: [Ir((MeO)2pypy)2(μ-Cl)]2
• 英文别名: [iridium(III)(2′,6′-dimethoxy-2,3′-bipyridine)2(μ-chloride)]2
• CAS: 1377250-24-2
• 化学式: C₄₈H₄₄Cl₂Ir₂N₈O₈
• 分子量: 1316.27
• InChiKey: BAQPMQDBBCGUIN-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  2-吡啶甲酸 、 [Ir((MeO)2pypy)2(μ-Cl)]2 在 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以65%的产率得到iridium(III) (2′,6′-dimethoxy-2,3′-bipyridinato-N,C^4′)(picolinate)
  参考文献：
  名称：

  Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands

  摘要：

  Facile one-pot synthetic methods for new alkoxo-functionalized heteroleptic cyclometalated Ir(III) compounds have been developed. Nucleophilic substitution of fluorine atoms in [(dfpypy)(2)Ir(mu-Cl)](2) (dfpypy = 2',6'-difluoro-2,3'bipyridine) by a methoxyethanol in the presence of an ancillary ligand led to the formation of the new alkoxo-fiinctionalized heteroleptic Ir(III) compounds Ir[(RO)(2)pypy](2)(N<^>O) in good yields. These compounds have a distorted octahedral geometry around the Ir(III) center with an N,N-trans-meridional configuration. They exhibit intense blue to yellow phosphorescence (lambda(max) = 453-558 nm) with moderate to excellent quautum efficiencies (0.22 to 0.96). Comparative studies on the fluoro analogues, Ir(dfpypy)(2)(N<^>O), were also carried out. Our investigation established that the substitution of a fluorine atom by an alkoxy chain can greatly improve the solubility of the compounds in common organic solvents without significantly altering the emission color and efficiencies, making alkoxy-functionalized Ir(III) compounds potential candidates for use in solution-processable phosphorescence OLEDs.

  DOI：

  10.1021/om400770h
• 作为产物：
  描述：

  iridium(III) chloride trihydrate 、 2',6'-bis(methoxy)-2,3'-bipyridine 以 乙二醇乙醚 、 水 为溶剂， 反应 24.0h， 以30%的产率得到[Ir((MeO)2pypy)2(μ-Cl)]2
  参考文献：
  名称：

  Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands

  摘要：

  Facile one-pot synthetic methods for new alkoxo-functionalized heteroleptic cyclometalated Ir(III) compounds have been developed. Nucleophilic substitution of fluorine atoms in [(dfpypy)(2)Ir(mu-Cl)](2) (dfpypy = 2',6'-difluoro-2,3'bipyridine) by a methoxyethanol in the presence of an ancillary ligand led to the formation of the new alkoxo-fiinctionalized heteroleptic Ir(III) compounds Ir[(RO)(2)pypy](2)(N<^>O) in good yields. These compounds have a distorted octahedral geometry around the Ir(III) center with an N,N-trans-meridional configuration. They exhibit intense blue to yellow phosphorescence (lambda(max) = 453-558 nm) with moderate to excellent quautum efficiencies (0.22 to 0.96). Comparative studies on the fluoro analogues, Ir(dfpypy)(2)(N<^>O), were also carried out. Our investigation established that the substitution of a fluorine atom by an alkoxy chain can greatly improve the solubility of the compounds in common organic solvents without significantly altering the emission color and efficiencies, making alkoxy-functionalized Ir(III) compounds potential candidates for use in solution-processable phosphorescence OLEDs.

  DOI：

  10.1021/om400770h