| 217656-34-3

• CAS: 217656-34-3
• 化学式: C₁₉H₂₀N₇Ru*F₆P
• 分子量: 592.449
• InChiKey: LMWUVNRNRBGHJJ-DBQHITQZSA-N

反应信息

• 作为产物：
  描述：

  potassium cyanide 、 以 四氢呋喃 为溶剂， 以74%的产率得到
  参考文献：
  名称：

  Synthesis, NMR studies, and molecular orbital calculations on cyclohexadienyl derivatives of (η6-arene)tris(pyrazolyl)ruthenium(II) compounds

  摘要：

  The addition of nucleophiles to the complex cations [Ru(η6-arene){κ3-HB(Pz3)}]+ or [Ru(η6-arene){κ3-HC(Pz3)}]2+ (Pz = pyrazol-1-yl) proceeds smoothly to give [Ru(η5-cyclohexadienyl){κ3-HB(Pz3)}] or [Ru(η5-cyclohexadienyl){κ3-HC(Pz3)}]+ respectively, which have been identified by NMR spectroscopy. NMR spectroscopy reveals that each of the cyclohexadienyl derivatives exhibits significant barriers to rotation of the η5 ligand. The electronic structure of [Ru(η6-arene){κ3-HB(Pz3)}]+ and the cyclohexadienyl derivatives has been probed by extended Hückel molecular orbital calculations, with emphasis on the rationalisation of the experimentally observed barriers to rotation of the carbocycles. The single crystal structure of [Ru(η5-C6H6CN){κ3-HC(Pz3)}][PF6] is reported.

  DOI：

  10.1039/a804254c