[Cu8(diisopropyldithiophosphato)6(μ8-Br)](PF6) | 809234-43-3

• 英文名称: [Cu8(diisopropyldithiophosphato)6(μ8-Br)](PF6)
• CAS: 809234-43-3
• 化学式: C₃₆H₈₄BrCu₈O₁₂P₆S₁₂*F₆P
• 分子量: 2012.93
• InChiKey: FFIXTSHRKGUAHT-UHFFFAOYSA-G

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  tetrakis(actonitrile)copper(I) hexafluorophosphate 、 ammonium O,O-diisopropyldithiophosphate 、 苄基三乙基溴化铵 在 Br₂ 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到[Cu8(diisopropyldithiophosphato)6(μ8-Br)](PF6)
  参考文献：
  名称：

  Cluster self-assembly of centered cubes of copper(I) with dialkyldithiophosphate ligands. X-ray structures of [Cu8(DDP)6(μ8-X)]PF6 (DDP=S2P(OiPr)2; X=Cl or Br) and their relationship to oxide and sulfide centered zinc(II) dialkyldithiophosphates, [Zn4(DDP)6(μ4-S or O)]

  摘要：

  A high purity synthesis of chloride-{Cu-8[S-2((OPr)-Pr-i)(2)](6)(mu(8)-Cl)}[PF6] (1) and bromide-{Cu-8[S-2((OPr)-Pr-i)(2)](6)(mu(8)-Br)}[PF6] (2) centered Cu-8 cubic clusters has been achieved through the reaction of [Cu(CH3CN)(4)]PF6 and NH4[S2P((OPr)-Pr-i)(2)] in the presence of [BzEt(3)N]X (X = Cl or Br) in THF upon addition of an appropriate oxidant. The nearly perfect Cu-8 cube encapsulates the closed shell ions Cl- or Br. The six diisopropyl dithiophosphate ligands bridge! across each face of the Cu8 cube to form a nearly regular icosahedron of S atoms about the centered Cu-8 cube. The eight Cu(I) atoms are located at the cube corners with an average Cu-Cu distance of 3.113(2) and 3.167(1) Angstrom (1 and 2, respectively). The average Cu-S distance is 2.282(2) Angstrom in 1 and 2.295(3) Angstrom in 2. There appears to be a direct structural relationship between these centered cubal structures and the tetranuclear zinc(II) oxide and sulfide centered dialkyldithiophosphates, [Zn-4(DDP)(6)(mu(4)-S or O)] which have the classic "basic" beryllium acetate geometry. The structural relationship to the hexanuclear clusters Cu-6[S-2(OR)(2)](6), R = ethyl or n-butyl, also are described. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.05.040