[Cu(η(1)-1-phenyl-1-phospha-4,7-dithiacyclononane)(η(3)-1-phenyl-1-phospha-4,7-dithiacyclononane)][PF6] | 147105-55-3

• 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: [Cu(η(1)-1-phenyl-1-phospha-4,7-dithiacyclononane)(η(3)-1-phenyl-1-phospha-4,7-dithiacyclononane)][PF6]
• 英文别名: copper(1+);7-phenyl-1,4,7-dithiaphosphonane;hexafluorophosphate
• CAS: 147105-55-3
• 化学式: C₂₄H₃₄CuP₂S₄*F₆P
• 分子量: 721.256
• InChiKey: GKZSWGNEHOQUHP-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：
  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-phenyl-1-phospha-4,7-dithiacyclononane 以 乙腈 为溶剂， 以80%的产率得到[Cu(η(1)-1-phenyl-1-phospha-4,7-dithiacyclononane)(η(3)-1-phenyl-1-phospha-4,7-dithiacyclononane)][PF6]
  参考文献：
  名称：

  Synthesis and coordination chemistry of 1-phenyl-1-phospha-4,7-dithiacyclononane

  摘要：

  Reaction of PhP(CH2CH2SH)(2) with 1,2-dichloroethane and Cs2CO3 under high dilution conditions affords 1-phenyl-1-phospha-4,7-dithiacyclononane (L) as an oil in 52% yield. The geometry of L has been probed by H-1 NMR spectroscopy, which indicates an equilibrium mixture containing gauche S-C-C-S and S-C-C-P segments, and molecular mechanics calculations which find a lowest energy endodentate conformation minimum and also energetically accessible exodentate minima. Endo- and exodentate conformations are observed in the crystal structure of [Cu(eta(1)-L)(eta(3)-L)][PF6] (1) formed by the reaction of L with [Cu(NCMe)(4)[PF6]. Reaction of Hg(ClO4)(2) with L affords [HgL2][ClO4](2) (2) whose structure has also been established by X-ray diffraction. The mercury ion is in a very distorted octahedral environment with two short Hg-P bonds (average 2.404 Angstrom) and four long Hg-S bonds (average 3.092 Angstrom). Reaction of L with AgBF4 or Ni(BF4)(2) or CoBr2 or Fe(BF4)(2) affords [AgL2][BF4] (3), [NiL2][BF4](2), (4), [CoL2]BL2 (5) and FeL2][BF4](2) (6), respectively, which were characterised by FAB mass spectroscopy and elemental analysis. Cyclic voltammetry studies were used to compare the redox properties of 4, 5 and 6 with their trithiacyclononane (9S3) analogues and in compound 4 the ligand L was found to stabilise Ni in the oxidation states 0, I, Il and III. UV-Vis spectroscopic measurements show that L is a stronger field ligand than 9S3. EXAFS studies were also performed on 4, 5 and 6, which established that all three complexes are six-coordinate. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00206-6