[Cu2(ttab)(I)2] | 906640-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Cu2(ttab)(I)2]
• 英文别名: [Cu2(1,2,4,5-tetra(7-azaindolyl)benzene)(I)2]
• CAS: 906640-64-0
• 化学式: C₃₄H₂₂Cu₂I₂N₈
• 分子量: 923.503
• InChiKey: DVHYMNKIIDRTNO-UHFFFAOYSA-L

反应信息

• 作为产物：
  描述：

  copper(l) iodide 、 1,2,4,5-tetrakis(1-N-7-azaindolyl)benzene 以 二氯甲烷 、 乙腈 为溶剂， 以92%的产率得到[Cu2(ttab)(I)2]
  参考文献：
  名称：

  Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene:  Persistent 3-Coordinate Geometry, Luminescence, and Reactivity

  摘要：

  Five Cu(I) complexes [Cu-2(ttab)(CH3CN)(2)][BF4](2) (1), [Cu-2(ttab)(PPh3)(2)][BF4](2) (2), [Cu-2(ttab)I-2] (3), [Cu-2(ttab)(I-3)(2)] (4), and [Cu-2(ttab)(I)BF4](n) (5) with 1,2,4,5-tetra(7-azaindolyl) benzene (ttab) have been synthesized and characterized. The structures of compound 1, 2, 4, and 5 have been determined by single-crystal X-ray diffraction analyses, which established that 1, 2, and 4 are discrete dinuclear Cu-2 compounds while compound 5 is a 1D coordination polymer with the I- ligand bridging two dinuclear Cu-2 units. The ttab ligand in all four complexes adopts a 1,3-chelation mode. The Cu( I) center in all complexes is three-coordinate. Close contact between the Cu( I) center and the benzene ring in the ttab ligand was observed in all four structures, which is believed to play a role in stabilizing the three-coordinate geometry of the Cu( I) center. The crystals of 1, 2, and 5 contain channels in the lattice that host solvent molecules such as CH2CI2 and toluene. Fluorescent measurements established that, in solution, compounds 1-3 display weak blue luminescence which originates from the ttab but is significantly red-shifted and has a much lower emission intensity, compared to the free ttab ligand. The application of compound 1 in C-N cross-coupling reactions was examined by using the reaction of phenyl halides with imidazole as a model system. For the reaction with phenyl iodide, 1 was found to be as effective a catalyst as the CuI/1,10-phenanthroline system. For the reaction with phenyl bromide, 1 is less effective than the CuI/1,10-phenanthroline system. Compound 1 reacts with O-2 gas, as established by UV-vis spectra, but the oxidized products have not been characterized.

  DOI：

  10.1021/ic060237h