bis(tetramethylphospholyl)chromium tetraphenylborate | 195724-79-9

• 英文名称: bis(tetramethylphospholyl)chromium tetraphenylborate
• CAS: 195724-79-9
• 化学式: C₁₆H₂₄CrP₂*C₂₄H₂₀B
• 分子量: 649.544
• InChiKey: TZLYJFRRTFAYAE-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：

  [(η(5)-C5H4Me)2Fe][B(C6H5)4] 、 bis(tetramethylphospholyl)chromium 以 四氢呋喃 为溶剂， 以65%的产率得到bis(tetramethylphospholyl)chromium tetraphenylborate
  参考文献：
  名称：

  Octamethyl-1,1‘-diphosphachromocene:  Its Spin Distribution and Oxidation

  摘要：

  Octamethyl-1,1'-diphosphachromocene ((Tmp)(2)Cr) was prepared from (Tmp)K and chromium dichloride in 81% yield, According to X-ray analysis, it has a distorted sandwich structure with the P atoms being bent away from chromium. Large H-1, C-13, and P-31 NMR shifts established the similarity to chromocenes (S = 1) and negative spin on the ligands. The signal splitting and temperature-dependent H-1 NMR data revealed that, on the ligand, the spin sits predominantly at the phosphorus and two carbon atoms. In the cyclic voltammetry, two oxidation steps and one reduction were visible. After chemical oxidation, [(Tmp)(2)Cr](+)[B(C6H5)(4)](-) was isolated in 65% yield. Its EPR spectrum is in accord with a S = 3/2 species. The H-1 NMR spectrum resembled those of chromocenium ions. Its analysis and that of the temperature-dependent 1H NMR spectra indicated a rather uniform spin distribution within the ligands. It was concluded that, in any case, the phosphorus may release spin to neighboring molecules.

  DOI：

  10.1021/om9705618