bis(pentamethylcyclopentadienyl)chromocinium (pentafluoro)bis(pentamethylcyclopentadienyl)dichromate(III) | 942422-06-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: bis(pentamethylcyclopentadienyl)chromocinium (pentafluoro)bis(pentamethylcyclopentadienyl)dichromate(III)
• 英文别名: [Cr(C5Me5)2][(μ2-F)(Cr(C5Me5)F2)2]；chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;pentafluoride
• CAS: 942422-06-2
• 化学式: C₂₀H₃₀Cr*C₂₀H₃₀Cr₂F₅
• 分子量: 791.896
• InChiKey: TZPCNDZYQFWOAM-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  bis(pentamethylcyclopentadienyl)chromium 、 六氟化硫 以 正己烷 为溶剂， 以85%的产率得到bis(pentamethylcyclopentadienyl)chromocinium (pentafluoro)bis(pentamethylcyclopentadienyl)dichromate(III)
  参考文献：
  名称：

  SF₆ as a Selective and Reactive Fluorinating Agent for Low-Valent Transition Metal Complexes

  摘要：

  SF6 has been found to react readily with vanadocene, yielding V(C5H5)(2)F, while reactions with decamethylchromocene can lead to a number of products, depending on conditions. Among the products can be included Cr(C5Me5)F-2(dmap) (dmap = p-dimethylaminopyridine), Cr(C5Me5)(2)(+)[Cr-2(C5Me5)(2)F-5](-), and Cr-8(C5Me5)(6)F-18. Each of these reactions is likely to occur via the equivalent of an inner-sphere electron-transfer process. An even more rapid reaction was observed with the 19-electron Fe(C5H5)[1,3,5-C6H3(t-C4H9)(3)] complex, leading to various salts of the expected 18-electron cation. In these cases, the reactions are likely to be analogous to an outer-sphere electron transfer, presumably leading initially to a "naked" fluoride ion. Structural characterization of each of these species has been obtained through X-ray diffraction studies.

  DOI：

  10.1021/om070175i