chloropalladium(1+);tricyclohexylphosphane;1,4,7-trithionane;hexafluorophosphate | 177593-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: chloropalladium(1+);tricyclohexylphosphane;1,4,7-trithionane;hexafluorophosphate
• CAS: 177593-99-6
• 化学式: C₂₄H₄₅ClPPdS₃*F₆P
• 分子量: 747.63
• InChiKey: KSDGQDCOUBOYJT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.74
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 cis-dichloro(1,4,7-trithiacyclononane)palladium(II) 、 三环己基膦 以 硝基甲烷 为溶剂， 以40%的产率得到chloropalladium(1+);tricyclohexylphosphane;1,4,7-trithionane;hexafluorophosphate
  参考文献：
  名称：

  Synthesis and structure of half-sandwich palladium(II) complexes of 1,4,7-trithiacyclononane ([9]aneS₃) incorporating halide, phosphine and heterocyclic ligands

  摘要：

  Reaction of PdCl2 with [9]aneS(3) (1,4,7-trithiacyclononane) in MeCN-CH2Cl2 3:1 v/v) afforded cis-[Pd([9]aneS(3))Cl-2] which can be converted into a range of half-sandwich palladium(II) complexes cis-[Pd([9]aneS(3))Cl(L)]PF6 [L = PPh(3) or P(C6H11)(3)] and cis-[Pd([9]aneS(3))L][PF6](2) {L = 2PPh(3), Ph(3)PCH(2)PPh(2) (dppm), Ph(2)PCH(2)CH(2)PPh(2) (dppe), (Ph(2)PCH(2))(3)CMe, (Ph(2)PCH(2))(2)[Ph(2)P(O)CH2](2)CMe, 2,2'-bipyridine (bipy) or 1,10-phenanthroline (phen)). The single-crystal structures of cis-[Pd([9]aneS(3))Cl(PPh(3))]PF6 and cis-[Pd([9]aneS(3))L][PF6](2) {L = 2PPh(3), dppm, (Ph(2)PCH(2))(2)[Ph(2)P(O)CH2]CMe, bipy or phen} have been determined. They all show square-planar co-ordination of Pd-II by L and two S-donors of [9]aneS(3), as well as an additional apical interaction with the third S-donor of [9]aneS(3), Pd ... S-ap 2.990(2) Angstrom for cis-[Pd([9]aneS(3))Cl(PPh(3))]PF6, 2.948(13) Angstrom for cis-[Pd([9]aneS(3))(phen)][PF6](2), 2.877(3) Angstrom; for cis-[Pd([9]aneS(3))[PPh(3))(2)][PF6](2), 2.808(13) Angstrom for cis-[Pd([9]aneS(3))(bipy)][PF6](2), 2.722(4) and 2.768(5) Angstrom for the two independent molecules of cis-[Pd([9]aneS(3)){(Ph(2)PCH(2))(2)[Ph(2)P(O)CH2]CMe}][PF6](2) and 2.698(3) Angstrom for cis-[Pd([9]aneS(3))(dppm)][PF6](2). In the solid state there is, therefore, a general tendency for the third S-donor bf [9]aneS(3) to form a long-range apical interaction giving overall five-co-ordination at Pd-II. The length of this interaction is influenced strongly by the electronic properties of the ligand L and by the overall charge of the complex cation. The redox properties of these complexes are discussed.

  DOI：

  10.1039/dt9960001885