bis(1-phenylisoquinolinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate | 908835-10-9

• 英文名称: bis(1-phenylisoquinolinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate
• 英文别名: [(2,2’-bipyridine)bis(2-phenyl(1-isoquinolato)-C²,N)iridium(III)] hexafluorophosphate；[Ir(1-phenylisoquinoline)2(2,2'-bipyridine)][PF6]；[Ir(piq)2(bpy)][PF6]
• CAS: 908835-10-9
• 化学式: C₄₀H₂₈IrN₄*F₆P
• 分子量: 901.873
• InChiKey: REOCFGVXEFHARI-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：
  None
• 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：

  1-苯基异喹啉 以 甲醇 、 二氯甲烷 、 乙二醇甲醚 、 水 为溶剂， 反应 25.0h， 生成 bis(1-phenylisoquinolinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate
  参考文献：
  名称：

  2‐Thiophenyl–Isoquinoline Ir(III) Complex: A Promising Tool in Antipseudomonal Photodynamic Therapy under Red Irradiation

  摘要：

  Innovative therapeutic strategies are more than ever needed to counter the rise of antibiotic‐resistant bacterial pathogens worldwide. The use of light, and especially photodynamic therapy (PDT) appears as a promising alternative or complement to antibiotic treatments, fostered by the development of new photosensitizers. In this study, eight luminescent Ir(III) complexes were synthesized and evaluated for their photoactivation properties and capacity to generate radical species under blue (452 nm), green (525 nm), and red (631 nm) LED light, respectively. Their antibacterial properties were assessed on Pseudomonas aeruginosa, Acinetobacter baumannii, Escherichia coli, and Staphylococcus aureus with most of these complexes exhibiting potentially useful activities upon light irradiation, at concentrations below 10 mg/L. A complex of Ir(III) cyclometallated to thiophenyl‐isoquinoline (tiq) and bearing 2,2’‐bipyridine (bipy) as ancillary ligand was further investigated. This latter showed a concentration‐ and light intensity‐dependent bactericidal activity on P. aeruginosa when irradiated under blue to red lights, proving that such complexes would be suitable candidates for PDT. Importantly, this lead complex remained active against antibiotic resistant clinical strains and was unaffected by active efflux systems. These data open interesting perspectives for the development of new treatments to tackle antibiotic resistant Gram‐negative bacteria.

  DOI：

  10.1002/ejic.202300767

文献信息

• Series of New Cationic Iridium(III) Complexes with Tunable Emission Wavelength and Excited State Properties:  Structures, Theoretical Calculations, and Photophysical and Electrochemical Properties
  作者：Qiang Zhao、Shujuan Liu、Mei Shi、Chuanming Wang、Mengxiao Yu、Lei Li、Fuyou Li、Tao Yi、Chunhui Huang

  DOI：10.1021/ic052034j

  日期：2006.8.1

  and the iridium(III) centers were found to adopt a distorted octahedral coordination geometry with cis metalated carbons and trans nitrogen atoms. UV-vis, photoluminescence, cyclic voltammetry, and theoretical calculations were employed for studying the photophysical and electrochemical properties. And the excited-state properties were investigated in detail. The excited state of complexes is complicated

  合成了一系列含有不同共轭长度的N / N配体的新型阳离子铱（III）络合物[Ir（piq）2（N / N）] + PF6-（1-6）（piq = 1-苯基-异喹啉） ，其中六个N / N配体是联吡啶，菲咯啉，2-吡啶基喹啉，2,2'-联喹啉，1,1'-联异喹啉和2-（2-喹啉基）喹喔啉。研究了三种配合物的单晶X射线衍射谱，发现铱（III）中心具有顺式金属碳原子和反式氮原子的扭曲的八面体配位几何形状。紫外可见光，光致发光，循环伏安法和理论计算被用于研究光物理和电化学性质。并对激发态性质进行了详细研究。配合物的激发态很复杂，同时包含三重态金属到配体的电荷转移（3MLCT），三重态配体到配体的电荷转移（3LLCT）和以配体为中心的（环金属化）（3LC）跃迁。重要的是，通过改变N / N配体的共轭长度，可以将发射波长从586 nm显着调整到586 nm。
• A Series of Red‐Light‐Emitting Ionic Iridium Complexes: Structures, Excited State Properties, and Application in Electroluminescent Devices
  作者：Shu‐Juan Liu、Qiang Zhao、Qu‐Li Fan、Wei Huang

  DOI：10.1002/ejic.200701184

  日期：2008.5

  geometry. All complexes exhibited intense and long-lived emission at room temperature. The substituents on the 2,2′-bipyridine moieties influence the photophysical and electrochemical properties. The excited states were investigated through theoretical calculations together with photophysical and electrochemical properties. It was found that the excited state of the [Ir(piq)2(FbpyF)](PF6) complex can be assigned

  制备了一系列离子二亚氨基铱配合物[Ir(piq-C∧N)2(LN∧N)](PF6)，其中piq-C∧N为1-苯基异喹啉，LN∧N为双齿N-配位配体：2 ,2'-联吡啶 (bpy), 4,4'-二甲基-2,2'-联吡啶 (mbpym), 5,5'-双(噻吩-2-基)-2,2'-联吡啶 (tbpyt),和 5,5'-双(9,9-二辛基芴-2-基)-2,2'-联吡啶 (FbpyF)。[Ir(piq)2(mbpym)](PF6) 的 X 射线衍射研究表明，铱中心采用扭曲的八面体几何形状。所有配合物在室温下都表现出强烈和长寿命的发射。2,2'-联吡啶部分上的取代基影响光物理和电化学性质。通过理论计算以及光物理和电化学性质研究了激发态。发现[Ir(piq)2(FbpyF)](PF6)配合物的激发态可归于3LC(πN∧N→π*N∧N)、3MLCT、3LLCT(πC∧ N→π*N∧N) 和 3LC (πC
• Design and photophysical studies of iridium(<scp>iii</scp>)–cobalt(<scp>iii</scp>) dyads and their application for dihydrogen photo-evolution
  作者：Cédric Lentz、Olivier Schott、Thomas Auvray、Garry S. Hanan、Benjamin Elias

  DOI：10.1039/c9dt01989h

  日期：——

  several new dyads constituted of cationic iridium(III) photosensitizers and cobalt(III) catalyst connected via free pendant pyridine on the photosensitizers. These dyads were studied by X-ray crystallography, electrochemistry, absorption and emission spectroscopy as well as theoretical calculations and were shown to efficiently produce H2 under visible light irradiation. In every case, the dyad outperformed

  我们报告了由阳离子铱（III）光敏剂和钴（III）催化剂通过光敏剂上的游离侧基吡啶连接而成的几种新的二元组。通过X-射线晶体学，电化学，吸收和发射光谱以及理论计算研究了这些二元化合物，并且显示出它们在可见光照射下有效地产生H 2。在每种情况下，二元组都比没有侧基吡啶的同等体系好。还研究了辐照波长与光催化性能之间的相关性，其中H 2的演化数高达295、251、188和78 mol H 2 mol PS -1 分别在蓝色，绿色，黄色和红色的灯光下。
• Iridium complexes inhibit tumor necrosis factor-α by utilizing light and mixed ligands
  作者：Elodie Sauvageot、Pierre Lafite、Eric Duverger、Ronan Marion、Matthieu Hamel、Sylvain Gaillard、Jean-Luc Renaud、Richard Daniellou

  DOI：10.1016/j.jorganchem.2016.02.001

  日期：2016.4

  We report herein a large study of the inhibition of tumor necrosis factor-alpha with 51 iridium(III) complexes, thus highlighting the influence of the nature of the ligands around the metal, their synergic effect and the role of the light. (C) 2016 Elsevier B.V. All rights reserved.
• Photocatalytic Hydrogen Production Using a Red-Absorbing Ir(III)–Co(III) Dyad
  作者：Cédric Lentz、Olivier Schott、Thomas Auvray、Garry Hanan、Benjamin Elias

  DOI：10.1021/acs.inorgchem.7b00684

  日期：2017.9.18

  The synthesis of a Ir(III) - Co(III) dyad with vectorial electron transfer afforded a novel supramolecular system that photocatalytically produces hydrogen in a range extending from the blue region of the spectrum to the red region with higher turnover number and frequency compared to other bimetallic dyads.