[(η6-benzene)Ru(((2,6-dimethylphenyl)NCMe)2CH)][B(3,5-CF3)2C6H3)4] | 1195949-61-1

• 英文名称: [(η6-benzene)Ru(((2,6-dimethylphenyl)NCMe)2CH)][B(3,5-CF3)2C6H3)4]
• CAS: 1195949-61-1
• 化学式: C₂₇H₃₁N₂Ru*C₃₂H₁₂BF₂₄
• 分子量: 1347.85
• InChiKey: SKVSQCCLHHLKTA-RHDSKTPSSA-N

反应信息

• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 lithium N,N'-bis(2,6-dimethylphenyl)-2,4-pentanediiminate 、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 二氯甲烷 为溶剂， 以86%的产率得到[(η6-benzene)Ru(((2,6-dimethylphenyl)NCMe)2CH)][B(3,5-CF3)2C6H3)4]
  参考文献：
  名称：

  Influence of Ion Pairing on Styrene Hydrogenation Using a Cationic η⁶-Arene β-Diketiminato−Ruthenium Complex

  摘要：

  A series of salts composed of the coordinatively unsaturated ruthenium beta-diketiminato cation [(eta(6)-C6H6)Ru((ArNCMe)(2)CH)](+) (Ar = 2,6-dimethylphenyl) and different anions, i.e., OTf- (1), BF4- (2), PF6- (3), BPh4- (4), and BArF- (B((3,5-CF3)(2)C6H3)(4)(-)) (5), have been prepared and characterized. The solid state structures of 1, 2, and 5 have also been established using single-crystal X-ray diffraction, Both solution and solid state data reveal the presence of anion-cation interactions, the extent of which depends on the nature of the anion, which have been further rationalized via computed charge density profiles using DFT energy optimized models. The catalytic activity of 1-5 in the hydrogenation of styrene was found to be highly dependent on the nature of the counteranion, as inferred from investigations based on high-pressure solution NMR, pulsed gradient spin-echo (PGSE) NMR diffusion, and Overhauser NMR spectroscopy. A good correlation between catalytic activity and the extent and nature of ion pairing was found, and the structure of the active catalytic species is proposed.

  DOI：

  10.1021/om900634s