| 187887-39-4

• CAS: 187887-39-4；215809-04-4；187887-36-1；170126-65-5
• 化学式: C₄₂H₄₂CuP₄*F₆P
• 分子量: 879.201
• InChiKey: UZYMYVXJWXPHLQ-MDHOHBAGSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  tetrakis(actonitrile)copper(I) hexafluorophosphate 、 1,1,4,7,10,10-六苯基-1,4,7,10-四磷杂癸烷 以 二氯甲烷 、 乙腈 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthesis and multinuclear NMR studies on copper and silver complexes of multidentate phosphine and mixed phospha/thia ligands. Single crystal structure of [Cu(P2S2)]PF6 (P2S2 = Ph2PCH2CH2SCH2CH2SCH2CH2PPh2)

  摘要：

  Reaction of [Cu(MeCN)(4)]PF6 or AgBF4 with 1 molar equiv. of L (L = tetraphos-1 , P2S2) in degassed acetone followed by addition of diethyl ether yielded the complexes of stoichiometry [M(L)](+)X(-), M = Cu, X(-) = PF6-; M = Ag, X(-) = BF4-, in high yield. H-1, P-31 and Ag-109 NMR spectroscopic data consistent with this formulation are presented. The complex Cu(L)PF6 contains discrete [Cu(P2S2)](+) cations and PF6- anions. The Cu-I ion is tetra-ligated to the P2S2 ligand via both the P- and S-donor atoms, Cu-S = 2.385(2), 2.367(2), Cu-P = 2.233(2), 2.242(2) Angstrom. The geometry at Cu-I is a severely distorted and flattened tetrahedron, with the angles at Cu-I involved in the five-membered chelate rings showing only small deviations from 90 degrees, while the unrestricted P(1)-Cu-P(2) angle is much more open at 134.88(6)degrees. The complexes [Cu(L')(2)]PF6 (L' = PhHPCH(2)CH(2)PHPh or PhHPCH(2)CH(2)CH(2)PHPh) were obtained by reaction of [Cu(MeCN)(4)]PF6 with 2 molar equiv. of the appropriate disecondary phosphine in degassed CH2Cl2. Variable-temperature P-31 and Cu-63 NMR spectroscopic studies confirmed the 1.2 Cu:L' stoichiometry and indicated an approximately tetrahedral arrangement of the four P donors around the Cu-I ion in each case.

  DOI：

  10.1016/0277-5387(95)00042-q