trans-Ir{κ²-C,N-[C₆MeH₃-py]}₂{κ²-O,O-[acac]} | 337526-86-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-Ir{κ²-C,N-[C₆MeH₃-py]}₂{κ²-O,O-[acac]}
• 英文别名: trans-Ir{κ²-C,N-[C₆MeH₃-py]}₂{κ²-O,O-[acetylacetonate]}；iridium(III) bis(2-(4-tolyl)pyridinato-N,C2') acetylacetonate；(2-para-tolylpyridyl)2Ir(2,4-pentanedionato)；(tpy)2Ir(acac)；Iridium(3+);2-(4-methylbenzene-6-id-1-yl)pyridine;pentane-2,4-dione
• CAS: 337526-86-0
• 化学式: C₂₉H₂₇IrN₂O₂
• 分子量: 627.766
• InChiKey: UKFAEOSZRSCLOO-UHFFFAOYSA-N

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  乙酰丙酮 、 [{Ir(μ-Cl)(2-(p-tolyl)pyridinato)₂}₂] 在 sodum carbonate 作用下， 以 further solvent(s) 为溶剂， 以75%的产率得到trans-Ir{κ²-C,N-[C₆MeH₃-py]}₂{κ²-O,O-[acac]}
  参考文献：
  名称：

  Synthesis and Characterization of Phosphorescent Cyclometalated Iridium Complexes

  摘要：

  The preparation, photophysics, and solid state structures of octahedral organometallic Ir complexes with several different cyclometalated ligands are reported. LrCl3 . nH(2)O cleanly cyclometalates a number of different compounds (i.e., 2-phenylpyridine, 2-(p-tolyl)pyridine, benzoquinoline, 2-phenylbenzothiazole, 2-(1-naphthyl)benzothiazole, and 2-phenylquinoline), forming the corresponding chloride-bridged dimers, C boolean ANDN(2)Ir(mu -Cl)(2)IrC boolean ANDN(2) (C boolean AND Nis a cyclometalated ligand) in good yield. These chloride-bridged dimers react with acetyl acetone (acacH) and other bidentate, monoanionic ligands such as picolinic acid (picH) and N-methylsalicylimine (salH)\ to give monomeric C boolean ANDN(2)Ir(LX) complexes (LX = acac, pie, sal). The emission spectra of these complexes are largely governed by the nature of the cyclometalating ligand, leading to lambda (max) values from 510 to 606 nm for the complexes reported here. The strong spin-orbit coupling of iridium mixes the formally forbidden (MLCT)-M-3 and 3 pi-pi* transitions with the allowed (MLCT)-M-1, leading to a strong phosphorescence with good quantum efficiencies (0.1-0.4) and room temperature lifetimes in the microsecond regime. The emission spectra of the C boolean ANDN(2)Ir(LX) complexes are surprisingly similar to the fac-IrC boolean ANDN(3) complex of the same ligand, even though the structures of the two complexes are markedly different. The crystal structures of two of the C boolean ANDN(2)Ir(acac) complexes (i.e., C boolean ANDN = ppy and tpy) have been determined. Both complexes show cis-C,C', trans-N,N' disposition of the two cyclometalated ligands, similar to the structures reported for other complexes with a "C boolean ANDN(2)Ir" fragment. NMR data (H-1 and C-13) support a similar structure for all of the C boolean ANDN(2)Ir(LX) complexes. Close intermolecular contacts in both (ppy)(2)Ir(acac) and (tpy)(2)Ir(acac) lead to significantly red shifted emission spectra for crystalline samples of the ppy and tpy complexes relative to their solution spectra.

  DOI：

  10.1021/ic0008969

文献信息

• Two Synthetic Tools to Deepen the Understanding of the Influence of Stereochemistry on the Properties of Iridium(III) Heteroleptic Emitters
  作者：Juan C. Babón、Pierre-Luc T. Boudreault、Miguel A. Esteruelas、Miguel A. Gaona、Susana Izquierdo、Montserrat Oliván、Enrique Oñate、Jui-Yi Tsai、Andrea Vélez

  DOI：10.1021/acs.inorgchem.3c03133

  日期：2023.12.11

  Two complementary procedures are presented to prepare cis-pyridyl-iridium(III) emitters of the class [3b+3b+3b′] with two orthometalated ligands of the 2-phenylpyridine type (3b) and a third ligand (3b′). They allowed to obtain four emitters of this class and to compare their properties with those of the trans-pyridyl isomers. The finding starts from IrH5(PiPr3)2, which reacts with 2-(p-tolyl)pyridine

  提出了两个互补的程序来制备[ 3b + 3b + 3b' ]类顺式吡啶基铱(III)发射体，其具有2-苯基吡啶类型的两个邻位金属化配体( 3b )和第三个配体( 3b' )。他们获得了四种此类发射体，并将它们的性能与反式吡啶基异构体的性能进行了比较。这一发现始于IrH 5 (P i Pr 3 ) 2 ，它与2-(对甲苯基)吡啶反应生成fac -[Irκ 2 - C,N -[C 6 MeH 3 -py]} 3 ]几乎具有定量的产量。将后者在适量的 HCl 饱和甲苯溶液中搅拌，生成顺式吡啶基加合物 IrClκ 2 - C,N -[C 6 MeH 3 -py]} 2 κ 1 - Cl -[Cl– H-py-C 6 MeH 4 ]} 用对甲苯基氯化吡啶稳定，也可以转化为二聚体cis -[Ir(μ-OH)κ 2 - C,N -[C 6 MeH 3 -py]} 2 ] 2 ． 加合物 IrClκ