(2-(2-naphthyl)benzoxazolato)2Ir(μ-Cl)2Ir(2-(2-naphthyl)benzoxazolato)2 | 1073055-86-3

• 英文名称: (2-(2-naphthyl)benzoxazolato)2Ir(μ-Cl)2Ir(2-(2-naphthyl)benzoxazolato)2
• 英文别名: (nbo)2Ir(μ-Cl)2Ir(nbo)2
• CAS: 1073055-86-3
• 化学式: C₆₈H₄₀Cl₂Ir₂N₄O₄
• 分子量: 1432.44
• InChiKey: BEHUTXFSFCVPRW-UHFFFAOYSA-L

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：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (2-(2-naphthyl)benzoxazolato)2Ir(μ-Cl)2Ir(2-(2-naphthyl)benzoxazolato)2 、 乙酰丙酮 在 K₂CO₃ 作用下， 以 乙二醇乙醚 为溶剂， 以80%的产率得到bis[2-(2-naphthyl)benzoxazolato-N,C(2')]iridium(III) (acetylacetonate)
  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
• 作为产物：
  描述：

  氯化铱(III) 水合物 、 2-萘-2-基-1,3-苯并恶唑 以 乙二醇乙醚 、 水 为溶剂， 以65%的产率得到(2-(2-naphthyl)benzoxazolato)2Ir(μ-Cl)2Ir(2-(2-naphthyl)benzoxazolato)2
  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

• Understanding Ir(III) Photocatalyst Structure–Activity Relationships: A Highly Parallelized Study of Light-Driven Metal Reduction Processes
  作者：Stephen DiLuzio、Timothy U. Connell、Velabo Mdluli、Jakub F. Kowalewski、Stefan Bernhard

  DOI：10.1021/jacs.1c12059

  日期：2022.1.26

  High-throughput synthesis and screening methods were used to measure the photochemical activity of 1440 distinct heteroleptic [Ir(C^N)2(N^N)]+ complexes for the photoreduction of Sn(II) and Zn(II) cations to their corresponding neutral metals. Kinetic data collection was carried out using home-built photoreactors and measured initial rates, obtained through an automated fitting algorithm, spanned between

  采用高通量合成和筛选方法测量 1440 种不同异配体 [Ir(C^N) 2 (N^N)] +的光化学活性用于将 Sn(II) 和 Zn(II) 阳离子光还原为其相应的中性金属的配合物。使用自制的光反应器进行动力学数据收集并测量初始速率，通过自动拟合算法获得，跨越 0-120 μM/s 的 Sn(0) 沉积和 0-90 μM/s 的 Zn(0) 沉积. 将光化学反应性与先前测量的光物理性质进行比较，例如这些相同配合物的脱气激发态寿命和发射光谱数据；然而，没有观察到这些特征之间的明确相关性。然后制定了正式的光化学速率定律以帮助阐明观察到的反应性。发现初始速率与具有三种反应基本效率的入射光子通量的乘积直接相关：(1) 光催化剂吸收的光的比例，(2) 被电子供体猝灭的激发态物质的比例，以及 (3) 笼逃逸效率。最活跃的催化剂在所有三个步骤中都表现出高效率，并且假设了最大化这些基本效率的催化剂工程要