5-(dimethylamino)-1,10-phenanthrolinebis(2-phenylpyridine(-1H))iridium(III) hexafluorophosphate | 958242-89-2

• 英文名称: 5-(dimethylamino)-1,10-phenanthrolinebis(2-phenylpyridine(-1H))iridium(III) hexafluorophosphate
• 英文别名: [Ir(ppy)2(5-NMe2-1,10-phen)]PF6；[Ir(2-phenylpyridine(-H))2(5-dimethylamino-1,10-phenanthroline)](hexafluorophosphate)
• CAS: 958242-89-2
• 化学式: C₃₆H₂₉IrN₅*F₆P
• 分子量: 868.844
• InChiKey: QLUODKZRZRZTOI-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 、 N,N-dimethyl-1,10-phenanthrolin-5-amine 以 甲醇 、 二氯甲烷 为溶剂， 以61%的产率得到5-(dimethylamino)-1,10-phenanthrolinebis(2-phenylpyridine(-1H))iridium(III) hexafluorophosphate
  参考文献：
  名称：

  The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices

  摘要：

  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.

  DOI：

  10.1021/ic700414z

文献信息

• Luminescent Cyclometalated Iridium(III) Polypyridine Di-2-picolylamine Complexes: Synthesis, Photophysics, Electrochemistry, Cation Binding, Cellular Internalization, and Cytotoxic Activity
  作者：Pui-Kei Lee、Wendell Ho-Tin Law、Hua-Wei Liu、Kenneth Kam-Wing Lo

  DOI：10.1021/ic201153d

  日期：2011.9.5

  measurements revealed an irreversible amine oxidation wave at ca. +1.1 to +1.2 V vs saturated calomel electrode, a quasi-reversible iridium(IV/III) couple at ca. +1.2 to +1.6 V, and a reversible diimine reduction couple at ca. −1.4 to −1.5 V. The cation-binding properties of these complexes have been studied by emission spectroscopy. Upon binding of zinc ion, the iridium(III) DPA complexes displayed 1.2- to 5

  一系列含有二-2-吡啶甲基胺（DPA）部分[Ir（N∧C）2（phen-DPA）]（PF 6）的发光环金属化铱（III）聚吡啶配合物（phen-DPA = 5-（di- 2- picolylamino）-1,10-菲咯啉）（HN ∧ C = 2-苯基吡啶，Hppy（1A），2-（4-甲基苯基）吡啶，Hmppy（图2a），2-苯基喹啉，HPQ（图3a），4- （2-吡啶基）苯甲醛，Hpba（4A））和它们的DPA-自由对应的[Ir（N ∧ C）2（苯-DMA）]（PF 6）（苯-DMA = 5-（二甲基氨基）-1,10 -phenanthroline）（HN ∧ C = Hppy（1B），Hmppy（2B），Hpq（3b），Hpba（4b））已合成和表征，并对其光物理和电化学性质进行了研究。在298 K的流体溶液中和在77 K的酒精玻璃中，络合物的光激发导致强烈且长寿命的发光。配合物的发射已分配给三重态金属到配体的电荷转移（3