| 143279-88-3

• CAS: 143279-88-3
• 化学式: BF₄*B₂F₇*C₄₀H₃₄O₂P₂Pd
• 分子量: 956.492
• InChiKey: MUIKGDFUBZOAHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：

  cis-bis-[Ph2CHC(O)Ph-κ2P.O]-palladium(II) 、 trifluoroborane diethyl ether 以 二氯甲烷 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of cis-[)Ph}2]-[BF4][B2F7]. Unexpected formation and first structural characterisation of the heptafluorodiborate anion B2F7−

  摘要：

  The reaction of cis-[activated Pd{Ph2PCH = C(O)Ph}2] (1) with HBF4/H2O instantly leads to the formation of the cationic complex cis-[activated Pd{Ph2PCH2C(O)Ph}2][BF4]2. When 1 was treated with commercial BF3.Et2O, containing HBF4 as an impurity, the related compound cis-[activated Pd{Ph2PCH2C(O)Ph}2][BF4][B2F7] (2) was formed. The structure of 2 was determined by an X-ray diffraction study. The compound crystallizes in the orthorhombic system, P2(1)2(1)2(1) space group, Z = 4, cell dimensions: a = 16.474(4), b = 19.007(5), c = 12.932(4) angstrom V = 4049.3 angstrom 3, final R = 0.030. The two chelating phosphines define puckered five membered metallocycles characterised by PCH2 carbon atoms lying significantly out of the metal coordination plane (-0.617(7) angstrom for C1 and +0.779(7) angstrom for C21). This study establishes the first structural data for the B2F7- anion: the value of the B-F(bridge) -B angle is 128.1(7)-degrees. The values of the B-F(bridge) bond lengths (1.50(1) and 1.51(1) angstrom) are significantly longer than the other B-F bonds (1.34-1.39 angstrom).

  DOI：

  10.1016/s0020-1693(00)82656-0