acetonitrile;gold(3+);1,2,3,4,5-pentachlorobenzene-6-ide;hexafluorophosphate | 1372790-81-2

• 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: acetonitrile;gold(3+);1,2,3,4,5-pentachlorobenzene-6-ide;hexafluorophosphate
• CAS: 1372790-81-2
• 化学式: C₁₆H₆AuCl₁₀N₂*F₆P
• 分子量: 922.698
• InChiKey: YIJCNCMAHUDSNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.95
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  nitrosyl hexafluorophosphate 、 N-n-Bu4{Au(C6Cl5)2} 、 乙腈 以 乙腈 为溶剂， 以6%的产率得到acetonitrile;gold(3+);1,2,3,4,5-pentachlorobenzene-6-ide;hexafluorophosphate
  参考文献：
  名称：

  Oxidative Rearrangement in Gold Organometallics

  摘要：

  The one-electron oxidizing agent [NO]PF6 was reacted with Bu4N[Au(C6X5)(2)] (X = F, Cl) complexes in CH3CN. The gold(III) complexes [Au(C6F5)(3)(CH3CN)] and cis-[Au(C6Cl5)(2)(CH3CN)(2)]PF6 were synthesized by the oxidation of gold(I) to gold(III) with the concomitant ligand rearrangement "oxidative rearrangement". The supramolecular crystal packing in the perfluorinated aryl gold(III) complex is dictated by the notably short C(sp(2))-F center dot center dot center dot H(CH3CN) bond distance. The [Au(C6Cl5)(2)(CH3CN)(2)]PF6 complex exhibits antisymbiosis, displaying equal ligands in the cis position. The electrochemical oxidation of Bu4N[Au(C6X5)(2)] (X = F, Cl) complexes in CH3CN showed two irreversible peaks at 0.71 and 1.21 V (X = F) and at 0.65 and 0.91 V (X = Cl) vs Ag/AgCl.

  DOI：

  10.1021/om3001422