| 863973-15-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 863973-15-3
• 化学式: C₃₀H₆₀N₂P₂RuSi₂
• 分子量: 668.008
• InChiKey: SAESSIFUGQBCRJ-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 生成
  参考文献：
  名称：

  [(^tBu₂PCH₂SiMe₂)₂N]RuCH₃:  The Origin of Extremely Facile, Double H−C(sp³) Activation Generating a “Hydrido-Carbene” Complex

  摘要：

  The four-coordinate compound [(tBu2PCH2SiMe2)2N]RuCH3 undergoes rapid double H-C(sp3) activation at -78 degrees C to generate a "hydrido-carbene" complex. DFT calculations suggest that the origin of the low barrier to methane elimination is an alpha-agostic interaction in the low-lying singlet state of the highly unsaturated (PNP)RuMe. The hydrido-carbene complex can be viewed as a "masked" resting state of the four-coordinate cyclometalated alkyl complex, [(tBu2PCH2SiMe2)N(Me2SiCH2P(tBu)(C(CH3)2CH2)]Ru, where hydride migration from metal to carbon occurs before any subsequent reactivity.

  DOI：

  10.1021/ja052973a
• 作为产物：
  描述：

  、 苯甲腈 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  [(^tBu₂PCH₂SiMe₂)₂N]RuCH₃:  The Origin of Extremely Facile, Double H−C(sp³) Activation Generating a “Hydrido-Carbene” Complex

  摘要：

  The four-coordinate compound [(tBu2PCH2SiMe2)2N]RuCH3 undergoes rapid double H-C(sp3) activation at -78 degrees C to generate a "hydrido-carbene" complex. DFT calculations suggest that the origin of the low barrier to methane elimination is an alpha-agostic interaction in the low-lying singlet state of the highly unsaturated (PNP)RuMe. The hydrido-carbene complex can be viewed as a "masked" resting state of the four-coordinate cyclometalated alkyl complex, [(tBu2PCH2SiMe2)N(Me2SiCH2P(tBu)(C(CH3)2CH2)]Ru, where hydride migration from metal to carbon occurs before any subsequent reactivity.

  DOI：

  10.1021/ja052973a