[Ir(ppy)₂(^NMe2bpy)](PF₆) | 918890-29-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ir(ppy)₂(^NMe2bpy)](PF₆)
• 英文别名: [Ir(dmabpy)(ppy)₂](PF₆)；[Ir(2-phenylpyridine(-H))2(4,4'-dimethylamino-2,2'-bipyridine)](hexafluorophosphate)；[Ir(ppy)2((Me2NC5H3N)2)]PF6；Iridium(1+), bis[2-(2-pyridinyl-|EN)phenyl-|EC](N4,N4,N4 inverted exclamation marka,N4 inverted exclamation marka-tetramethyl[2,2 inverted exclamation marka-bipyridine]-4,4 inverted exclamation marka-diamine-|EN1,|EN1 inverted exclamation marka)-, (OC-6-33)-, hexafluorophosphate(1-) (1:1)；2-[4-(dimethylamino)pyridin-2-yl]-N,N-dimethylpyridin-4-amine;iridium(3+);2-phenylpyridine;hexafluorophosphate
• CAS: 918890-29-6
• 化学式: C₃₆H₃₄IrN₆*F₆P
• 分子量: 887.89
• InChiKey: ZAIJLOLQIZPHKA-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-[4-(二甲氨基)吡啶-2-基]-N,N-二甲基吡啶-4-胺 、 [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 、 ammonium hexafluorophosphate 以 甲醇 、 二氯甲烷 为溶剂， 以55%的产率得到[Ir(ppy)₂(^NMe2bpy)](PF₆)
  参考文献：
  名称：

  Designing Ionic Ir(III) Cyclometalated Complexes as Photocatalysts for Light Assisted ATRP of MMA. A Combined Experimental and Mechanistic Study

  摘要：

  A new family of ionic Ir(III) cyclometalated complexes with general formula [Ir(CN)2(NN)][Br], was designed and prepared to be assessed as photocalysts for the visible light assisted ATRP polymerization of MMA. To this purpose, our design strategy involved both: i) the decoration of the cyclometalating (CN) and the ancillary (NN) ligands with various electron withdrawing and/or electron donor substituents and, ii) the use of Br− as the counter anion for these cationic Ir(III) species. After an extensive screening in which the [Ir(CN)2(NN)][Br]‐type compounds were compared to the model neutral complex fac‐[Ir(ppy)3], the “fully” amino‐substituted ion pairs abbreviated as [10][Br] and [11][Br], exhibited the best photocatalytic performances under irradiation with CFL lamps. It is worth noting that the outcomes of transient absorption spectroscopy (TAS) experiments combined with theoretical DFT calculations, enlightened the role played by the Ir(III) complexes in the mechanism of the photoATRP process, and suggested the rationalization of the different performances that were highlighted by our Ir(III) catalyst in the visible light assisted photopolymerization of MMA.

  DOI：

  10.1002/chem.202400393
• 作为试剂：
  描述：

  苯乙烯 、 4-氯丁醇 在 [Ir(ppy)₂(^NMe2bpy)](PF₆) 、 C₂₆H₃₁F₃N₅NiO₅S₂⁽¹⁺⁾*CF₃O₃S^(1-) 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 24.0h， 以88%的产率得到苯已醇
  参考文献：
  名称：

  惰性烷基氯的光氧化还原活化与芳香烯烃的还原交叉偶联

  摘要：

  介绍了惰性氯代烷烃与烯烃交叉偶联反应的光氧化还原活化，在温和条件下具有广泛的官能团耐受性。通过结合 UV/Vis 光谱、EPR、自由基钟和氘标记实验，[Ni(Py 2 Ts tacn)] +被认为具有催化活性来激活 Csp 3 -Cl 键，形成自由基，与烯烃。

  DOI：

  10.1002/anie.202114365

文献信息

• Controlling Phosphorescence Color and Quantum Yields in Cationic Iridium Complexes:  A Combined Experimental and Theoretical Study
  作者：Filippo De Angelis、Simona Fantacci、Nicholas Evans、Cedric Klein、Shaik M. Zakeeruddin、Jacques-E. Moser、Kuppuswamy Kalyanasundaram、Henk J. Bolink、M. Grätzel、Mohammed K. Nazeeruddin

  DOI：10.1021/ic700435c

  日期：2007.7.1

  We report a combined experimental and theoretical study on cationic Ir(III) complexes for OLED applications and describe a strategy to tune the phosphorescence wavelength and to enhance the emission quantum yields for this class of compounds. This is achieved by modulating the electronic structure and the excited states of the complexes by selective ligand functionalization. In particular, we report

  我们报告了用于OLED应用的阳离子Ir（III）配合物的组合实验和理论研究，并描述了调整此类化合物的磷光波长和增强发射量子产率的策略。这是通过选择性配体官能化来调节配合物的电子结构和激发态来实现的。特别是，我们报告了新型阳离子Ir（III）配合物[Ir（2,4-二氟苯基吡啶）2（4,4'-二甲基氨基-2,2'-联吡啶）]的合成，电化学表征和光物理性质（PF（6））（N969），并将结果与​​类似的[Ir（2-苯基吡啶）2（4,4'-二甲基氨基-2,2'-联吡啶）]（PF（6））报告的结果进行比较（N926）和原型[Ir（2-苯基吡啶）2（4,4'-叔丁基-2,2'-联吡啶）]（PF（6））络合物，此后标记为N925。这三种配合物使我们能够探索（C / N）和（N / N）配体的功能化：以N925作为参考，我们在N926中研究了释放电子的取代基对联吡啶配体的影响，而在N969中，我们研究了释