[Cu(ⁱPr₂Im)(O^tBu)]

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: [Cu(ⁱPr₂Im)(O^tBu)]
• 英文别名: [Cu(1,3-di-iso-propylimidazolin-2-ylidene)(O^tBu)]
• 化学式: C₁₃H₂₅CuN₂O
• 分子量: 288.9
• InChiKey: JYNFCOIZDHRDKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Cu(ⁱPr₂Im)(O^tBu)] 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  氟代芳烃的C–H活化：带有2-苯基吡啶配体的铜（I）和金（I）配合物的合成，结构和发光性质

  摘要：

  Although 2-phenylpyridine (ppy)-type complexes have been employed very successfully for the design of luminescent Ir-III and Pt-II complexes, corresponding d(10)-coinage metal complexes are unknown. We report on the synthesis of the first, room-temperature-stable, Cu-I ppy-type complexes, by CH activation of 2-(2,3,4,5-tetrafluorophenyl)pyridine (Htfppy, 1) using [Cu(OH)(IDipp)] (2) (IDipp = bis(2,6-di-isopropylphenyl)imidazole-2-ylidene) or by lithiation of 1 and subsequent reaction with CuBr SMe2 in the presence of a POP ligand (POP = bis{2-(diphenylphosphanyl)phenyl} ether) in THF, giving [Cu(tfppy)(IDipp)] (3) or [Cu(tfppy)(POP)] (4). The complexes thus obtained adopt distorted trigonal and tetrahedral coordination geometries, respectively. Gold(I) tfppy complexes with IDipp (5) or PTol(3) (6) ligands have also been prepared, showing a preference for linear coordination environments due to the noncoordinating pyridine moiety of the tfppy ligand. These structural differences have a profound effect on the photophysical properties of the coinage metal ppy compounds. The Cu-I tfppy complexes exhibit intense orange-red luminescence (lambda(max) = 610 (3), 607 (4) nm) from a (3)(intraligand)CT state in the solid state at room temperature, with phosphorescence lifetimes of tau = 8.6 (3) and 9.5 (4) is. In contrast, the linear coordination leads to weak emission of the Au-I complexes, with 5 displaying simultaneous fluorescence and phosphorescence. Surprisingly, reaction of 2 with Htfppy (1) in MeCN leads to solvent activation and to isolation of a copper acetamide complex, [Cu(N(H)C(O)Me)(IDipp)] (14).

  DOI：

  10.1021/acs.organomet.5b00904
• 作为产物：
  描述：

  1,3-(diisopropyl)imidazol-2-ylidene 以 四氢呋喃 为溶剂， 反应 28.0h， 生成 [Cu(ⁱPr₂Im)(O^tBu)]
  参考文献：
  名称：

  N-烷基取代的N-杂环卡宾的铜（I）配合物

  摘要：

  我们在本文中报道了带有小的烷基取代的N-杂环卡宾（NHC）配体的各种铜配合物的合成路线以及光谱和结构表征。[Cu（NHC）（X）]和[Cu（NHC）2（X）]（X = Cl）类型的配合物很容易通过Cu（I）Cl与各种碳烯的反应合成。[Cu（NHC）（X）]络合物的分子结构都显示出几乎线性排列的两个坐标的Cu（I）原子，且C （NHC） Cu Cl角非常接近180°。利用最小的烷基卡宾Me 2 Im（= 1,3-二甲基-咪唑啉-2-亚基），该化合物采用具有[Cu（Me 2 Im）2 ] +的离子结构阳离子和[CuCl 2 ] -阴离子。的铜（I）氯化物与一些的NHCs两个当量（NHC = Me中反应2 IM，我镨2 IM，我镨2 ImMe 2 [= 1,3-二-异-丙基-4,5- dimethylimidazolin -2- -亚苯基]）提供[Cu（NHC）2（X）]类型的配合物，该配合物显

  DOI：

  10.1016/j.jorganchem.2018.11.032

文献信息

• C–H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands
  作者：Roberto Molteni、Katharina Edkins、Martin Haehnel、Andreas Steffen

  DOI：10.1021/acs.organomet.5b00904

  日期：2016.3.14

  Although 2-phenylpyridine (ppy)-type complexes have been employed very successfully for the design of luminescent Ir-III and Pt-II complexes, corresponding d(10)-coinage metal complexes are unknown. We report on the synthesis of the first, room-temperature-stable, Cu-I ppy-type complexes, by CH activation of 2-(2,3,4,5-tetrafluorophenyl)pyridine (Htfppy, 1) using [Cu(OH)(IDipp)] (2) (IDipp = bis(2,6-di-isopropylphenyl)imidazole-2-ylidene) or by lithiation of 1 and subsequent reaction with CuBr SMe2 in the presence of a POP ligand (POP = bis2-(diphenylphosphanyl)phenyl} ether) in THF, giving [Cu(tfppy)(IDipp)] (3) or [Cu(tfppy)(POP)] (4). The complexes thus obtained adopt distorted trigonal and tetrahedral coordination geometries, respectively. Gold(I) tfppy complexes with IDipp (5) or PTol(3) (6) ligands have also been prepared, showing a preference for linear coordination environments due to the noncoordinating pyridine moiety of the tfppy ligand. These structural differences have a profound effect on the photophysical properties of the coinage metal ppy compounds. The Cu-I tfppy complexes exhibit intense orange-red luminescence (lambda(max) = 610 (3), 607 (4) nm) from a (3)(intraligand)CT state in the solid state at room temperature, with phosphorescence lifetimes of tau = 8.6 (3) and 9.5 (4) is. In contrast, the linear coordination leads to weak emission of the Au-I complexes, with 5 displaying simultaneous fluorescence and phosphorescence. Surprisingly, reaction of 2 with Htfppy (1) in MeCN leads to solvent activation and to isolation of a copper acetamide complex, [Cu(N(H)C(O)Me)(IDipp)] (14).
• Copper(I) complexes of N-alkyl-substituted N-Heterocyclic carbenes
  作者：Laura Kuehn、Antonius F. Eichhorn、Todd B. Marder、Udo Radius

  DOI：10.1016/j.jorganchem.2018.11.032

  日期：2019.2

  We report herein the synthetic routes to and spectroscopic and structural characterization of a variety of copper complexes bearing small alkyl-substituted N-heterocyclic carbene (NHC) ligands. Complexes of the type [Cu(NHC)(X)] and [Cu(NHC)2(X)] (X = Cl) were readily synthesized by reaction of Cu(I)Cl with a variety of the carbenes. The molecular structures of the [Cu(NHC)(X)] complexes all show two-coordinate

  我们在本文中报道了带有小的烷基取代的N-杂环卡宾（NHC）配体的各种铜配合物的合成路线以及光谱和结构表征。[Cu（NHC）（X）]和[Cu（NHC）2（X）]（X = Cl）类型的配合物很容易通过Cu（I）Cl与各种碳烯的反应合成。[Cu（NHC）（X）]络合物的分子结构都显示出几乎线性排列的两个坐标的Cu（I）原子，且C （NHC） Cu Cl角非常接近180°。利用最小的烷基卡宾Me 2 Im（= 1,3-二甲基-咪唑啉-2-亚基），该化合物采用具有[Cu（Me 2 Im）2 ] +的离子结构阳离子和[CuCl 2 ] -阴离子。的铜（I）氯化物与一些的NHCs两个当量（NHC = Me中反应2 IM，我镨2 IM，我镨2 ImMe 2 [= 1,3-二-异-丙基-4,5- dimethylimidazolin -2- -亚苯基]）提供[Cu（NHC）2（X）]类型的配合物，该配合物显