[(2-(3,5-difluorophenyl)benzoxazolato-N,C2)2Ir(dibenzoylmethanato)] | 1073055-80-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: [(2-(3,5-difluorophenyl)benzoxazolato-N,C2)2Ir(dibenzoylmethanato)]
• 英文别名: [(dfpbo)2Ir(dbm)]；bis[2-(3,5-difluorophenyl)benzoxazolato-N,C(2')]iridium(III) (dibenzoylmethanate)；(fpbo)2Ir(dbm)
• CAS: 1073055-80-7
• 化学式: C₄₁H₂₃F₄IrN₂O₄
• 分子量: 875.858
• InChiKey: MTZGGKPKDKWUMU-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  (2-(3,5-difluorophenyl)benzoxazolato-N,C2)2IrIII(μ-Cl)2IrIII(2-(3,5-difluorophenyl)benzoxazolato-N,C2)2 、 二苯甲酰基甲烷 在 K₂CO₃ 作用下， 以 乙二醇乙醚 为溶剂， 以85%的产率得到[(2-(3,5-difluorophenyl)benzoxazolato-N,C2)2Ir(dibenzoylmethanato)]
  参考文献：
  名称：

  Synthesis and characterization of cyclometalated iridium(III) complexes containing benzoxazole derivatives and different ancillary ligands

  摘要：

  The synthesis, structures, electrochemistry, and photophysics of a series of cyclometalated iridium(III) complexes based on benzoxazole derivatives and different beta-diketonate ligands are reported. These complexes have a general formula C boolean AND N2Ir(LL') [ where C boolean AND N is a monoanionic cyclometalating ligand; 2-phenylbenzoxazolato (pbo), 2-(4-chlorophenyl) benzoxazolato (cpbo), 2-phenyl-5-chlorobenzoxazolato (pcbo), 2-(3,5-difluorophenyl)benzoxazole (fpbo), or 2-(2-naphthyl)benzoxazolato (nbo), and LL' is an ancillary ligand; acetylacetonate (acac), dibenzoylmethanate (dbm), or 1,1,1,5,5,5-hexafluoroacetylacetonate (hfacac)]. The complexes (pcbo)(2)Ir(acac) (3), (dfpbo)(2)Ir(acac) (4), (cpbo)(2)Ir(dbm) (7), (dfpbo)(2)Ir(dbm) (8), and (dfpbo)(2)Ir(hfacac) (9) have been structurally characterized by X-ray crystallography. All of the complexes show reversible oxidation between 0.45 and 1.07 V, versus Fc/Fc(+), and have short luminescence lifetime (tau = 0.1-1.3 mu s) at room temperature. Except complex 9, the radiative decay rate (k(r)) and nonradiative decay rate (k(nr)) of the (C boolean AND N)(2)Ir(LL') complexes have been determined by using the lifetime and quantum efficiency. The kr ranges between 2.0 x 10(3) and 3.0 x 10(5) s(1) and knr spans a narrower range of values (5.0 x 10(5) to 7.0 x 10(6) s(1)). (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.06.034

文献信息

• An 18+δ iridium dimer releasing metalloradicals spontaneously
  作者：Tsun-Ren Chen、Hsiu-Pen Lee、Jhy-Der Chen、Kelvin H.-C. Chen

  DOI：10.1039/c0dt00605j

  日期：——

  Reductive elimination of a bridged chlorine from a diiridium(III) core, [(dfpbo)2Ir(μ-Cl)]2 (dfpbo = 2-(3.5-difluorophenyl)benzoxazolato-N,C2), afforded an iridium dimer, [(fpbo)2Ir]2(μ-Cl), showing an 18+δ structure with a bent bridge, which can release metalloradicals spontaneously in solution at room temperature.

  从二铱（III）核心[(dfpbo)2Ir(δ-Cl)]2（dfpbo = 2-(3.5-二氟苯基)苯并恶唑-N,C2）中还原消除桥接的氯，得到了铱二聚体[(fpbo)2Ir]2(δ-Cl)，该二聚体显示出具有弯曲桥接的 18+δ 结构，在室温下可在溶液中自发释放出金属卤化物。