tetrakis-(5-methyl-2-(4-bromophenyl)pyridine(-1H))-μ-(dichloro)-diiridium(III) | 808142-73-6

• 英文名称: tetrakis-(5-methyl-2-(4-bromophenyl)pyridine(-1H))-μ-(dichloro)-diiridium(III)
• 英文别名: tetrakis(5-methyl-2-(4-fluorophenyl)pyridine(1-))di(μ-bromo)diiridium(III)
• CAS: 808142-73-6
• 化学式: C₄₈H₃₆Br₄Cl₂Ir₂N₄
• 分子量: 1443.8
• InChiKey: GNRIUVIHTJQBAP-UHFFFAOYSA-L

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：
  None
• 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：
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反应信息

• 作为反应物：
  描述：

  tetrakis-(5-methyl-2-(4-bromophenyl)pyridine(-1H))-μ-(dichloro)-diiridium(III) 、 顺-1,2-双(二苯基膦)乙烯 以 乙二醇 、 乙腈 为溶剂， 生成 (1,2-bis(diphenylphosphino)ethylene)-bis-(5-methyl-2-(4-bromophenyl)pyridine(-1H))-iridium(III) chloride
  参考文献：
  名称：

  Accelerated Luminophore Discovery through Combinatorial Synthesis

  摘要：

  A method for accelerating the discovery of ionic luminophores using combinatorial techniques is reported. The photophysical properties of the resulting transition-metal-based chromophores were compared against a series of analogous, traditionally prepared species. The strong overlap between these two sets confirms the identity of the parallel synthesis products and supports the truthfulness of the combinatorial results. Further support for the combinatorial method comes from the adherence of these complexes to the energy gap law. The relationship between the structure of a complex and its photophysical properties was also considered, and static DFT calculations were used to assess whether it is feasible to predict the luminescent behavior of novel materials.

  DOI：

  10.1021/ja047156+
• 作为产物：
  描述：

  Iridium(3+);trichloride;hydrate;hydrochloride 、 2-(4-bromophenyl)-5-methylpyridine 以 乙二醇甲醚 、 水 为溶剂， 生成 tetrakis-(5-methyl-2-(4-bromophenyl)pyridine(-1H))-μ-(dichloro)-diiridium(III)
  参考文献：
  名称：

  Accelerated Luminophore Discovery through Combinatorial Synthesis

  摘要：

  A method for accelerating the discovery of ionic luminophores using combinatorial techniques is reported. The photophysical properties of the resulting transition-metal-based chromophores were compared against a series of analogous, traditionally prepared species. The strong overlap between these two sets confirms the identity of the parallel synthesis products and supports the truthfulness of the combinatorial results. Further support for the combinatorial method comes from the adherence of these complexes to the energy gap law. The relationship between the structure of a complex and its photophysical properties was also considered, and static DFT calculations were used to assess whether it is feasible to predict the luminescent behavior of novel materials.

  DOI：

  10.1021/ja047156+

文献信息

• Polymerizable cationic iridium(III) complexes exhibiting color tunable light emission and their corresponding conducting metallopolymers
  作者：Travis W. Hesterberg、Xiaoping Yang、Bradley J. Holliday

  DOI：10.1016/j.poly.2009.06.014

  日期：2010.1

  can be easily varied synthetically to tune emission color of the monomer from blue–green to red. The solid state structure of complex 1 has been obtained by single crystal X-ray crystallography. Conducting polymer materials have been prepared by electropolymerization of monomers and were characterized through XPS analysis and spectroscopic studies.

  已经合成了环金属化的铱（III）配合物，可用于多种光物理应用，包括聚合物发光二极管（PLED）。制备了一系列具有一个可电化学聚合的配体和两个基于苯基​​吡啶（ppy）的配体的新配合物：[Ir（ppy）2 L] [PF 6 ]（1），[Ir（F-mppy）2 L] [ PF 6 ]（2）和[Ir（Br-mppy）2 L] [PF 6 ]（3），其中L = 3,8-双（2,2'-bithien-5-yl）-1,10 -菲咯啉。辅助的ppy配体可以很容易地合成变化，以调整单体的发射颜色，从蓝绿色变为红色。配合物1的固态结构已经通过单晶X射线晶体学获得。导电聚合物材料已经通过单体的电聚合制备，并通过XPS分析和光谱研究进行了表征。
• 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