[CpRu(Cy2PCH2CH2PCy2)(dinitrogen)]B(C6H3(CF3)2)4 | 1303610-82-3

• 英文名称: [CpRu(Cy2PCH2CH2PCy2)(dinitrogen)]B(C6H3(CF3)2)4
• 英文别名: [CpRu(dcype)(N2)]B(C6H3(CF3)2)4
• CAS: 1303610-82-3
• 化学式: C₃₁H₅₃N₂P₂Ru*C₃₂H₁₂BF₂₄
• 分子量: 1480.01
• InChiKey: CUTRNRZHKUSXOL-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：

  [CpRu(Cy2PCH2CH2PCy2)(dinitrogen)]B(C6H3(CF3)2)4 、 Dicyclohexylamino-boran 以 氟苯 为溶剂， 以32%的产率得到[CpRu(Cy2PCH2CH2PCy2)(η2-H2BNCy2)]B(C6H3(CF3)2)4
  参考文献：
  名称：

  Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR₃)₂(H₂BNCy₂)]⁺

  摘要：

  Aminoboranes, H2BNRR', represent the monomeric building blocks from which novel polymeric materials can be constructed via metal-mediated processes. The fundamental capabilities of these compounds to interact with metal centers have been probed through the coordination of H2BNCy2 at 16-electron [CpRu(PR3)(2)](+) fragments. In contrast to the side-on binding of isoelectronic alkene donors, an alternative mono(sigma-BH) mode of aminoborane ligation is established for H2BNCy2, with binding energies only similar to 8 kcal mol(-1) greater than those for analogous dinitrogen complexes. Variations in ground-state structure and exchange dynamics as a function of the phosphine ancillary ligand set are consistent with chemically significant back-bonding into an orbital of B-H sigma* character.

  DOI：

  10.1021/ja203051d
• 作为产物：
  描述：

  (η5-Cp)RuCl(CY2PCH2CH2PCY2) 、 氮 、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 氟苯 为溶剂， 以10%的产率得到[CpRu(Cy2PCH2CH2PCy2)(dinitrogen)]B(C6H3(CF3)2)4
  参考文献：
  名称：

  Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR₃)₂(H₂BNCy₂)]⁺

  摘要：

  Aminoboranes, H2BNRR', represent the monomeric building blocks from which novel polymeric materials can be constructed via metal-mediated processes. The fundamental capabilities of these compounds to interact with metal centers have been probed through the coordination of H2BNCy2 at 16-electron [CpRu(PR3)(2)](+) fragments. In contrast to the side-on binding of isoelectronic alkene donors, an alternative mono(sigma-BH) mode of aminoborane ligation is established for H2BNCy2, with binding energies only similar to 8 kcal mol(-1) greater than those for analogous dinitrogen complexes. Variations in ground-state structure and exchange dynamics as a function of the phosphine ancillary ligand set are consistent with chemically significant back-bonding into an orbital of B-H sigma* character.

  DOI：

  10.1021/ja203051d