[Cu(o-C6H4(TeMe)2)2]PF6 | 174911-90-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [Cu(o-C6H4(TeMe)2)2]PF6
• 英文别名: 1,2-bis(methyltellanyl)benzene;copper(1+);hexafluorophosphate
• CAS: 174911-90-1
• 化学式: C₁₆H₂₀CuTe₄*F₆P
• 分子量: 931.245
• InChiKey: ZIJFBRJLSXGYGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.26
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tetrakis(actonitrile)copper(I) hexafluorophosphate 、 o-phenylene-bis-(methyltelluride) 以 二氯甲烷 为溶剂， 以80%的产率得到[Cu(o-C6H4(TeMe)2)2]PF6
  参考文献：
  名称：

  Homoleptic Copper(I) and Silver(I) Complexes with o-Phenylene-Backboned Bis(thioethers), Bis(selenoethers), and Bis(telluroethers):  Synthesis, Multinuclear NMR Studies, and Crystal Structures of [Cu{o-C₆H₄(SeMe)₂}₂]PF₆, [Cu{o-C₆H₄(TeMe)₂}₂]PF₆, and [Ag_n{μ-o-C₆H₄(SeMe)₂}_n{o-C₆H₄(SeMe)₂}_n][BF₄]_n·nCH₂Cl₂

  摘要：

  Homoleptic copper(I) and silver(I) complexes [M(L-L)(2)]X (M = Cu, X = PF6; M = Ag, X = BF4; L-L = o-C6H4(EMe)(2); E = S, Se, Te) have been prepared and characterized by analysis, FAB mass spectrometry, and multinuclear NMR spectroscopy (H-1, Se-77, Te-125, Cu-63, Ag-109). Variable-temperature NMR studies have been used to probe various exchange processes occurring in solution. Single-crystal X-ray structural studies show that the Cu(I) complexes Cu{o-C6H4(SeMe)(2)}(2)]PF6 [trigonal, a 13.29(2), c = 65.97(2) Angstrom, R(3) over barc$, Z = 18] and [Cu(o-C6H4(TeMe)(2)}(2)]PF6 [trigonal, a = 13.632(6) Angstrom, c = 67.983(4) Angstrom, R(3) over barc$, Z = 18] are isostructural and exist as mononuclear species with chelating bis(seleno- and bis(telluroethers), respectively, whereas the single-crystal structure of [Ag{o-C6H4(SeMe)(2)}(2)]BF4 [monoclinic, a = 19.273(7) Angstrom, b = 11.927(3) Angstrom, c = 20.405(6) Angstrom, beta = 90.42(3)degrees, P2(1)/c, Z = 4] comprises infinite chains of [Ag-n{mu-o-C6H4(SeMe)(2)}(n){o-C6H4(SeMe)(2)}(n)](n+), discrete BF4-, anions and CH2Cl2 solvent molecules. The o-C6H4(SeMe)(2) ligands in the latter exist as a mixture of invertomers within the infinite chains; the chelating ones adopt the meso arrangement while the bridging ones occur as the DL form. This is the first structurally characterized complex involving a bridging o-phenylene group 16 donor ligand and the first case of both invertomers occurring in a single complex.

  DOI：

  10.1021/ic951139r