[Cu2(bis(1-methyl-2-benzimidazolyl)propane)2(CH3O)2(μ-CF3SO3)](CF3SO3) | 193017-58-2

• 英文名称: [Cu2(bis(1-methyl-2-benzimidazolyl)propane)2(CH3O)2(μ-CF3SO3)](CF3SO3)
• CAS: 193017-58-2；193017-56-0
• 化学式: CF₃O₃S*C₄₁H₄₆Cu₂F₃N₈O₅S
• 分子量: 1096.09
• InChiKey: XLMXSLFGZNCDNZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Cu2(bis(1-methyl-2-benzimidazolyl)propane)2(CH3O)2(μ-CF3SO3)](CF3SO3) 以 neat (no solvent) 为溶剂， 生成 [Cu2(bis(1-methyl-2-benzimidazolyl)propane)2(CH3O)2](CF3SO3)2
  参考文献：
  名称：

  Synthesis, spectroscopic properties and X-ray crystal structures of two dinuclear alkoxo-bridged copper(II) compounds with the ligand bis(1-methyl-2-benzimidazolyl) propane. A unique alkoxo-bridged Cu(II) dinuclear compound with an additional bidentate bridging triflate anion

  摘要：

  Based on the new ligand bis(1-methyl-2-benzimidazolyl) propane (abbreviated as mtbz) several new copper(II) coordination compounds have been prepared and characterized structurally and spectroscopically. Two representative compounds, i.e. [Cu-2(mtbz)(2)(CH3O)(2)(CF3SO3)](CF3SO3) (1) and [Cu-2(mtbz)(2)(CH3O)(2)](ClO4)(2) (4) were characterized structurally by X-ray diffraction. Crystal data for 1: monoclinic, space group P2(1)/c, a = 13.6585(5), b = 39.981(3), c = 20.919(1) Angstrom, beta = 125.98(1)degrees, Z = 8. Crystal data for 4: monoclinic, space group P2(1)/c, a = 13.115(2), b = 9.523(2), c = 17.908(4) Angstrom, beta = 111.71(1)degrees, Z = 2. Structures 1 and 4 each consist of a dinuclear unit with bridging methoxo groups and one ligand linked to each copper via an N atom. Structure 1 (which consists of two dinuclear, crystallographically independent, but chemically identical units) has the two copper atoms bridged by a triflate anion, providing each copper atom a square-pyramidal coordination, while the copper atoms in structure 4 have an almost a square-planar geometry. The Cu-Cu distances (Angstrom) within the dinuclear units are: 1, 2.9775(13), 2.9751(13); 4, 2.9872(16); the Cu-O-Cu bridging angles (degrees) are: 1, 101.7(3), 101.7(3), 100.9(3), 102.1(3); 4, 103.2(2). The mid-IR section focused on the vibrations of the triflate anion reveals interesting results concerning the assignment of that anion related to the nu(as)(S-O) band. Characteristic Cu-O vibrations in the far-IR section were found at 386 and 230 cm(-1) for the methoxo-bridged and 454 and 332 cm(-1) for the ethoxo-bridged compounds. These dinuclear species are EPR silent, and only a weak signal of monomeric impurities is observed. They also show a diamagnetic behavior below room temperature.

  DOI：

  10.1016/s0020-1693(96)05554-5
• 作为产物：
  描述：

  甲醇 、 1-甲基-2-[3-(1-甲基苯并咪唑-2-基)丙基]苯并咪唑 、 copper(II) bis(trifluoromethanesulfonate) 以 甲醇 为溶剂， 生成 [Cu2(bis(1-methyl-2-benzimidazolyl)propane)2(CH3O)2(μ-CF3SO3)](CF3SO3)
  参考文献：
  名称：

  Synthesis, spectroscopic properties and X-ray crystal structures of two dinuclear alkoxo-bridged copper(II) compounds with the ligand bis(1-methyl-2-benzimidazolyl) propane. A unique alkoxo-bridged Cu(II) dinuclear compound with an additional bidentate bridging triflate anion

  摘要：

  Based on the new ligand bis(1-methyl-2-benzimidazolyl) propane (abbreviated as mtbz) several new copper(II) coordination compounds have been prepared and characterized structurally and spectroscopically. Two representative compounds, i.e. [Cu-2(mtbz)(2)(CH3O)(2)(CF3SO3)](CF3SO3) (1) and [Cu-2(mtbz)(2)(CH3O)(2)](ClO4)(2) (4) were characterized structurally by X-ray diffraction. Crystal data for 1: monoclinic, space group P2(1)/c, a = 13.6585(5), b = 39.981(3), c = 20.919(1) Angstrom, beta = 125.98(1)degrees, Z = 8. Crystal data for 4: monoclinic, space group P2(1)/c, a = 13.115(2), b = 9.523(2), c = 17.908(4) Angstrom, beta = 111.71(1)degrees, Z = 2. Structures 1 and 4 each consist of a dinuclear unit with bridging methoxo groups and one ligand linked to each copper via an N atom. Structure 1 (which consists of two dinuclear, crystallographically independent, but chemically identical units) has the two copper atoms bridged by a triflate anion, providing each copper atom a square-pyramidal coordination, while the copper atoms in structure 4 have an almost a square-planar geometry. The Cu-Cu distances (Angstrom) within the dinuclear units are: 1, 2.9775(13), 2.9751(13); 4, 2.9872(16); the Cu-O-Cu bridging angles (degrees) are: 1, 101.7(3), 101.7(3), 100.9(3), 102.1(3); 4, 103.2(2). The mid-IR section focused on the vibrations of the triflate anion reveals interesting results concerning the assignment of that anion related to the nu(as)(S-O) band. Characteristic Cu-O vibrations in the far-IR section were found at 386 and 230 cm(-1) for the methoxo-bridged and 454 and 332 cm(-1) for the ethoxo-bridged compounds. These dinuclear species are EPR silent, and only a weak signal of monomeric impurities is observed. They also show a diamagnetic behavior below room temperature.

  DOI：

  10.1016/s0020-1693(96)05554-5