[Ir(ppy)2(2,9-dimethyl-1,10-penanthroline)]PF6 | 958243-07-7

• 英文名称: [Ir(ppy)2(2,9-dimethyl-1,10-penanthroline)]PF6
• 英文别名: [(2,9-dimethyl-1,10-phenanthroline)bis(2-phenylpyridinato-C²,N)iridium(III)] hexafluorophosphate；[Ir(ppy)₂(2,9-dimethyl-1,10-penanthroline)]PF₆；[Ir(ppy)₂(dmphen)]PF₆；[Ir(2-phenylpyridine(-H))2(2,9-dimethyl-1,10-phenanthroline)](hexafluorophosphate)；[Ir(ppy)2(2-Me,9-Me-1,10-phen)]PF6
• CAS: 958243-07-7
• 化学式: C₃₆H₂₈IrN₄*F₆P
• 分子量: 853.829
• InChiKey: AEOFXCMHZJXYNX-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-苯基吡啶 以 甲醇 、 二氯甲烷 、 乙二醇甲醚 、 水 为溶剂， 反应 20.0h， 生成 [Ir(ppy)2(2,9-dimethyl-1,10-penanthroline)]PF6
  参考文献：
  名称：

  Iridium complexes inhibit tumor necrosis factor-α by utilizing light and mixed ligands

  摘要：

  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.

  DOI：

  10.1016/j.jorganchem.2016.02.001

文献信息

• Green and Reddish-Orange Light-Emitting Electrochemical Cells Using Cationic Iridium (III) Phenanthroline Complexes
  作者：Dan Bi Moon、Young Son Choe

  DOI：10.1080/15421406.2013.849444

  日期：2013.1

  A new series of cationic heteroleptic iridium(III) complexes with phenanthroline based-ancillary ligands, namely, [Ir(ppy)(2)(dmphen)]PF6, [Ir(ppy)(2)(dbphen)]PF6 and [Ir(ppy)(2)(dpphen)]PF6 (ppy is 2-phenylpyridine, dmphen is 2,9-dimethyl-1,10-phenanthroline, dbphen is 2,9-dibutyl-1,10-phenanthroline, dpphen is 2,9-diphenyl-1,10-phenanthroline and PF6 is hexafluorophosphate) have been synthesized and characterized by various spectroscopic methods. These synthesized complexes were used for the fabrication of single component light-emitting electrochemical cells (LECs). The electroluminescent devices were evaluated on the basis of electroluminescence properties and the effect of substituents on the phenanthroline ligands tune the emission color of the complexes.
• The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices
  作者：Claudia Dragonetti、Luigi Falciola、Patrizia Mussini、Stefania Righetto、Dominique Roberto、Renato Ugo、Adriana Valore、Filippo De Angelis、Simona Fantacci、Antonio Sgamellotti、Miguel Ramon、Michele Muccini

  DOI：10.1021/ic700414z

  日期：2007.10.1

  The photophysical and electrochemical properties of the novel complexes [Ir(ppy)(2)(5-X-1,10-phen)][PF6] (ppy = 2-phenylpyridine, phen = phenanthroline, X = NMe2, NO2), [Ir(pq)(2)(5-X-1,10-phen)][PF6] (pq = 2-phenylquinoline, X, = H, Me, NMe2, NO2), [Ir(ppy)(2)(4-Me,7-Me-1,10-phen)][PF6], [Ir(ppy)(2)(5-Me,6-Me-1,10-phen)][PF6], [Ir(ppy)(2)(2-Me,9-Me-1,10-phen)][PF6], and [Ir(pq)(2)(4-Ph,7-Ph-1,10-phen)][PF6] have been investigated and compared with those of the known reference complexes [Ir(ppy)(2)(4-Me or 5-H or 5-Me-1,10-phen)][PF6] and [Ir(ppy)(2)(4-Ph,7-Ph-1,10-phen)][PF6], showing how the nature and number of the phenanthroline substituents tune the color of the emission, its quantum yield, and the emission lifetime. It turns out that the quantum yield is strongly dependent on the nonradiative decay. The geometry, ground state, electronic structure, and excited electronic states of the investigated complexes have been calculated on the basis of density functional theory (DFT) and time-dependent DFT approaches, thus substantiating the electrochemical measurements and providing insight into the electronic origin of the absorption spectra and of the lowest excited states involved in the light emission process. These results provide useful guidelines for further tailoring of the photophysical properties of ionic Ir(III) complexes.