CoH2(tris-(o-diisopropylphosphinophenyl)silyl) | 1393890-39-5

• 英文名称: CoH2(tris-(o-diisopropylphosphinophenyl)silyl)
• CAS: 1393890-39-5
• 化学式: C₃₆H₅₆CoP₃Si
• 分子量: 668.841
• InChiKey: DXDIBPNDLCSBEP-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：

  CoH2(tris-(o-diisopropylphosphinophenyl)silyl) 、 氮气 以 氘代甲苯 为溶剂， 生成 CoN2(tris-(o-diisopropylphosphinophenyl)silyl)
  参考文献：
  名称：

  Dihydrogen Binding to Isostructural S = ¹/₂ and S = 0 Cobalt Complexes

  摘要：

  Two isostructural, nonclassical Co(H(2)) complexes are prepared from their Co(N(2)) precursors using tris(phosphino)silyl and tris(phosphino)borane ancillary ligands. Comproportionation of CoBr(2) and Co metal in the presence of TPB (tris-(o-diisopropylphophinophenyl)borane) gives (TPB)CoBr (4). One-electron reduction of 4 triggers N(2) binding to give (TPB)Co(N(2)) (2-N(2)) which is isostructural to previously reported [SiP(3)]Co(N(2)) (1-N(2)) ([SiP(3)] = tris-(o-diisopropylphosphinophenyl)silyl). Both 1-N(2) and 2-N(2) react with 1 atm H(2) to generate thermally stable H(2) complexes 1-H(2) and 2-H(2), respectively. Both complexes are characterized by a suite of spectroscopic techniques in solution and by X-ray crystallography. The H(2) and N(2) ligands in 2-H(2) and 2-N(2) are labile under ambient conditions and the binding equilibria are observable by temperature-dependent UV/vis. A van't Hoff analysis allows for the ligand binding energetics to be determined (H(2): ΔH(o) = -12.5(3) kcal mol(-1) and ΔS(o) = -26(3) cal K(-1) mol(-1); N(2): ΔH(o) = -13.9(7) kcal mol(-1) and ΔS(o) = -32(5) cal K(-1) mol(-1)).

  DOI：

  10.1021/ja305248f
• 作为产物：
  描述：

  CoN2(tris-(o-diisopropylphosphinophenyl)silyl) 、 氢气 以 氘代甲苯 为溶剂， 反应 120.0h， 生成 CoH2(tris-(o-diisopropylphosphinophenyl)silyl)
  参考文献：
  名称：

  Dihydrogen Binding to Isostructural S = ¹/₂ and S = 0 Cobalt Complexes

  摘要：

  Two isostructural, nonclassical Co(H(2)) complexes are prepared from their Co(N(2)) precursors using tris(phosphino)silyl and tris(phosphino)borane ancillary ligands. Comproportionation of CoBr(2) and Co metal in the presence of TPB (tris-(o-diisopropylphophinophenyl)borane) gives (TPB)CoBr (4). One-electron reduction of 4 triggers N(2) binding to give (TPB)Co(N(2)) (2-N(2)) which is isostructural to previously reported [SiP(3)]Co(N(2)) (1-N(2)) ([SiP(3)] = tris-(o-diisopropylphosphinophenyl)silyl). Both 1-N(2) and 2-N(2) react with 1 atm H(2) to generate thermally stable H(2) complexes 1-H(2) and 2-H(2), respectively. Both complexes are characterized by a suite of spectroscopic techniques in solution and by X-ray crystallography. The H(2) and N(2) ligands in 2-H(2) and 2-N(2) are labile under ambient conditions and the binding equilibria are observable by temperature-dependent UV/vis. A van't Hoff analysis allows for the ligand binding energetics to be determined (H(2): ΔH(o) = -12.5(3) kcal mol(-1) and ΔS(o) = -26(3) cal K(-1) mol(-1); N(2): ΔH(o) = -13.9(7) kcal mol(-1) and ΔS(o) = -32(5) cal K(-1) mol(-1)).

  DOI：

  10.1021/ja305248f