bis{μ-bis(diphenylphosphino)methane}-μ-(acetato)dicopper(I) tetrafluoroborate | 128977-05-9

• 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: bis{μ-bis(diphenylphosphino)methane}-μ-(acetato)dicopper(I) tetrafluoroborate
• CAS: 128977-05-9
• 化学式: BF₄*C₅₂H₄₇Cu₂O₂P₄
• 分子量: 1041.74
• InChiKey: KDIDSDFFMWFGJI-UHFFFAOYSA-M

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：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  {Cu2(μ-bis(diphenylphosphino)methane)2(CH3CN)2}{BF4}2 在 H₃CCO₂Na 作用下， 以 四氢呋喃 为溶剂， 以70-80的产率得到bis{μ-bis(diphenylphosphino)methane}-μ-(acetato)dicopper(I) tetrafluoroborate
  参考文献：
  名称：

  Diez, Josefina; Gamasa, Pilar; Gimeno, Jose, Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：

文献信息

• Crystallographic, Theoretical, and Spectroscopic Studies of the Luminescent d¹⁰−d¹⁰ Binuclear Copper Acetate Complex Cu₂(dppm)₂(O₂CCH₃)⁺
  作者：Pierre D. Harvey、Marc Drouin、Tianle Zhang

  DOI：10.1021/ic961353v

  日期：1997.10.1

  The new d(10)-d(10) dimer Cu-2(dppm)(2)(O2CCH3)(+) (as a BF4- salt) has been prepared and characterized by X-ray crystallography and by H-1 and P-31 NMR, vibrational, and electronic spectroscopy. The compound is luminescent at 77 K but not at room temperature. MO calculations and geometry optimizations have been performed using the EHMO and DFT models, respectively. In the solid state the Cu-2 separation is 2.788(1) Angstrom. where nu(Cu-2) = 87.7 cm(-1), indicating the presence of weak Cu ... Cu interactions. The MO calculations predict that the lowest energy excited states are MLCT from Cu to phenylphosphine/acetate. These predictions have been confirmed by electronic spectroscopy via a comparison between Cu-2(dppm)(2)(O2CCH3)(+) and Cu-2(dppm)(2)(O2CC6H5)(+) In solutions, both NMR (H-1 and P-31) and luminescence spectroscopies (time-resolved spectra and tau(e) analysis) demonstrate the presence of two metal species in solutions: Cu-2(dppm)(2)(O2CCH3)(+) and Cu-2(dppm)(O2CCH3)(+). The dimer crystallizes in the triclinic space group P (1) over bar with a = 11.572(2) Angstrom, b = 12.552(2)Angstrom, c = 19.543(3) Angstrom, alpha = 85.274(12)degrees, beta = 82.108(11)degrees, gamma = 68.950(12)degrees, and Z = 2.