[Ir(phbpy)2]PF6 | 1191467-93-2

• 英文名称: [Ir(phbpy)2]PF6
• 英文别名: [Ir(III)(6-phenyl-2,2'-bipyridine(-H))2]PF6
• CAS: 1191467-93-2
• 化学式: C₃₂H₂₂IrN₄*F₆P
• 分子量: 799.738
• InChiKey: HQERMEVZJLGZTE-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 氯化铱(III) 水合物 、 6-苯基-2,2'-联吡啶 以 乙二醇 为溶剂， 以10%的产率得到[Ir(phbpy)2]PF6
  参考文献：
  名称：

  Photon-Driven Catalytic Proton Reduction with a Robust Homoleptic Iridium(III) 6-Phenyl-2,2′-bipyridine Complex ([Ir(C^/\N^/\N)₂]⁺)

  摘要：

  The improved stability of a photocatalytic proton reduction system is accomplished when a heteroleptic bis-cyclometalated diimine iridium(III) photosensitizer ([Ir(ppy)(2)(bpy)](+), ppy=2-phenylpyridine and bpy=2,2'-bipyridine) is replaced with a novel iridium complex, [Ir(phbpy)(2)](+) (phbpy = 6-phenyl-2,2'-bipyridine). The decomposition of [Ir(ppy)(2)(bpy)]+ analogs in photocatalytic systems has been previously shown to result from 2,2'-bipyridine dissociation, which will be hindered by the improved architecture. Although desirable for reasons beyond stability, syntheses of bis-tridentate iridium complexes of 6-phenyl-2,2'-bipyridine are uncommon, with no previous examples having an analogous coordination sphere to the well-studied [Ir((CN)-N-boolean AND)(2)((NN)-N-boolean AND)](+) architecture (where (CN)-N-boolean AND = cyclometalating ligand and N A N = neutral diimine ligand). Ligand modification has proven a successful strategy in tuning the photophysical properties of [Ir((CN)-N-boolean AND)(2)((NN)-N-boolean AND)](+) complexes and can now be employed for the more robust [Ir((CNN)-N-boolean AND-N-boolean AND)(2)](+) framework (where (CNN)-N-boolean AND-N-boolean AND = cyclometalating diimine ligand). Characterization of the novel complex reveals similar electrochemical properties and calculated orbital densities to the parent [Ir(ppy)(2)(bpy)](+) species, while there are notable differences between the absorption and photophysical properties of the two complexes.

  DOI：

  10.1021/ic900777g