[Ir(4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine)Cl3] | 1542046-24-1

• 英文名称: [Ir(4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine)Cl3]
• 英文别名: [Ir(dMeO-phtpy)Cl₃]；[Ir(4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine)Cl₃]
• CAS: 1542046-24-1
• 化学式: C₂₃H₁₉Cl₃IrN₃O₂
• 分子量: 668.002
• InChiKey: UDWYWFOFEVJFOE-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 [Ir(4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine)Cl3] 、 2-(4-氟苯基)-5-甲基吡啶 以 乙二醇 、 乙醇 、 水 为溶剂， 反应 18.2h， 以75%的产率得到[Ir(dMeO-phtpy)(F-mppy)Cl]PF₆
  参考文献：
  名称：

  [Ir(N^N^N)(C^N)L]⁺: A New Family of Luminophores Combining Tunability and Enhanced Photostability

  摘要：

  The relatively unexplored luminophore architecture [Ir(N boolean AND N boolean AND N)(C boolean AND N)L](+) (N boolean AND N boolean AND N = tridentate polypyridyl ligand, C<^>N = 2-phenylpyridine derivative, and L = monodentate anionic ligand) offers the stability of tridentate polypyridyl coordination along with the tunability of three independently variable ligands. Here, a new family of these luminophores has been prepared based on the previously reported compound [Ir(tpy)(ppy)Cl](+) (tpy = 2,2':6',2 ''-terpyridine and ppy = 2-phenylpyridine). Complexes are obtained as single stereoisomers, and ligand geometry is unambiguously assigned via X-ray crystallography. Electrochemical analysis of the materials reveals facile HOMO modulation through ppy functionalization and alteration of the monodentate ligand's field strength. Emission reflects similar modulation shifting from orange to greenish-blue upon replacement of chloride with cyanide. Many of the new compounds exhibit impressive room temperature phosphorescence with lifetimes near 3 mu s and quantum yields reaching 28.6%. Application of the new luminophores as photosensitizers for photocatalytic hydrogen generation reveals that their photostability in coordinating solvent is enhanced as compared to popular [Ir(ppy)(2)(bpy)](+) (bpy = 2,2'-bipyridine) photosensitizers. Yet, the binding of their monodentate ligand emerges as a source of instability during the redox processes of cyclic voltammetry and mass spectrometry. DFT modeling of electronic structure is provided for all compounds to elucidate experimental properties.

  DOI：

  10.1021/ic402411g
• 作为产物：
  描述：

  iridium(III) chloride trihydrate 、 4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine 以 乙二醇 为溶剂， 反应 0.17h， 以65%的产率得到[Ir(4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine)Cl3]
  参考文献：
  名称：

  [Ir(N^N^N)(C^N)L]⁺: A New Family of Luminophores Combining Tunability and Enhanced Photostability

  摘要：

  The relatively unexplored luminophore architecture [Ir(N boolean AND N boolean AND N)(C boolean AND N)L](+) (N boolean AND N boolean AND N = tridentate polypyridyl ligand, C<^>N = 2-phenylpyridine derivative, and L = monodentate anionic ligand) offers the stability of tridentate polypyridyl coordination along with the tunability of three independently variable ligands. Here, a new family of these luminophores has been prepared based on the previously reported compound [Ir(tpy)(ppy)Cl](+) (tpy = 2,2':6',2 ''-terpyridine and ppy = 2-phenylpyridine). Complexes are obtained as single stereoisomers, and ligand geometry is unambiguously assigned via X-ray crystallography. Electrochemical analysis of the materials reveals facile HOMO modulation through ppy functionalization and alteration of the monodentate ligand's field strength. Emission reflects similar modulation shifting from orange to greenish-blue upon replacement of chloride with cyanide. Many of the new compounds exhibit impressive room temperature phosphorescence with lifetimes near 3 mu s and quantum yields reaching 28.6%. Application of the new luminophores as photosensitizers for photocatalytic hydrogen generation reveals that their photostability in coordinating solvent is enhanced as compared to popular [Ir(ppy)(2)(bpy)](+) (bpy = 2,2'-bipyridine) photosensitizers. Yet, the binding of their monodentate ligand emerges as a source of instability during the redox processes of cyclic voltammetry and mass spectrometry. DFT modeling of electronic structure is provided for all compounds to elucidate experimental properties.

  DOI：

  10.1021/ic402411g