[Ni(η6-Me3C6H3)(NO)]PF6 | 1346264-78-5

• 英文名称: [Ni(η6-Me3C6H3)(NO)]PF6
• CAS: 1346264-78-5
• 化学式: C₉H₁₂NNiO*F₆P
• 分子量: 353.855
• InChiKey: OFIFBAXKTUHTJO-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

• 作为反应物：
  描述：

  [Ni(η6-Me3C6H3)(NO)]PF6 、 N,N-二甲基苯胺 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO₂)₃][PF₆]

  摘要：

  The reaction of [NO][PF6] with excess Ni powder in CH3NO2, in the presence of 2 mol % NiI2, results in the formation of [Ni(NO)(CH3NO2)(3)][PF6] (1), which can be isolated in modest yield as a blue crystalline solid. Also formed in the reaction is [Ni(CH3NO2)(6)][PF6](2) (2), which can be isolated in comparable yield as a pale-green solid. In the solid state, 1 exhibits tetrahedral geometry about the Ni center with a linear nitrosyl ligand [Ni1-N1-O1 = 174.1(8)degrees] and a short Ni-N bond distance [1.626(6) angstrom]. As anticipated, the weakly coordinating nitromethane ligands in 1 are easily displaced by a variety of donors, including Et2O, MeCN, and piperidine (NC5H11). More surprisingly, the addition of mesitylene to 1 results in the formation of an eta(6)-coordinated nickel arene complex, [Ni(eta(6)-1,3,5-Me3C6H3)(NO)][PF6] (6). In the solid state, complex 6 exhibits a long Ni-C-cent distance [1.682(2) angstrom], suggesting a relatively weak Ni-arene interaction, a consequence of the strong pi-back-donation to the nitrosyl ligand. The addition of anisole to 1 also results in the formation of a eta(6) nickel arene complex, [Ni(eta(6)-MeOC6H5)(NO)][PF6] (7). This complex also exhibits a long Ni-C-cent distance [1.684(1) angstrom].

  DOI：

  10.1021/ic201821t
• 作为产物：
  描述：

  、 均三甲苯 以 二氯甲烷 为溶剂， 以71%的产率得到[Ni(η6-Me3C6H3)(NO)]PF6
  参考文献：
  名称：

  Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO₂)₃][PF₆]

  摘要：

  The reaction of [NO][PF6] with excess Ni powder in CH3NO2, in the presence of 2 mol % NiI2, results in the formation of [Ni(NO)(CH3NO2)(3)][PF6] (1), which can be isolated in modest yield as a blue crystalline solid. Also formed in the reaction is [Ni(CH3NO2)(6)][PF6](2) (2), which can be isolated in comparable yield as a pale-green solid. In the solid state, 1 exhibits tetrahedral geometry about the Ni center with a linear nitrosyl ligand [Ni1-N1-O1 = 174.1(8)degrees] and a short Ni-N bond distance [1.626(6) angstrom]. As anticipated, the weakly coordinating nitromethane ligands in 1 are easily displaced by a variety of donors, including Et2O, MeCN, and piperidine (NC5H11). More surprisingly, the addition of mesitylene to 1 results in the formation of an eta(6)-coordinated nickel arene complex, [Ni(eta(6)-1,3,5-Me3C6H3)(NO)][PF6] (6). In the solid state, complex 6 exhibits a long Ni-C-cent distance [1.682(2) angstrom], suggesting a relatively weak Ni-arene interaction, a consequence of the strong pi-back-donation to the nitrosyl ligand. The addition of anisole to 1 also results in the formation of a eta(6) nickel arene complex, [Ni(eta(6)-MeOC6H5)(NO)][PF6] (7). This complex also exhibits a long Ni-C-cent distance [1.684(1) angstrom].

  DOI：

  10.1021/ic201821t