[Rh(I)(CO)2(bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether)][BF4] | 634589-97-2

• 英文名称: [Rh(I)(CO)2(bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether)][BF4]
• CAS: 634589-97-2
• 化学式: BF₄*C₁₆H₂₂N₄O₃Rh
• 分子量: 508.086
• InChiKey: KDJCGJYHGAUUOH-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：

  [Rh(I)(CO)2(bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether)][BF4] 以 乙醚 、 二氯甲烷 为溶剂， 生成 [Rh(I)(CO)(bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether)][BF4]
  参考文献：
  名称：

  Study of the bonding properties of the bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether toward Rh(I): an hemilabile ligand exhibiting κ3N,N,O meridional or facial coordination mode

  摘要：

  The bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether ligand (L-1) reacts with [Rh(COD)(THF)(2)][BF4] generated in situ, giving [Rh(COD)(L-1-kappa(2)N,N)][BF4] ([1][BF4]). The 1,5-cyclooctadiene ligand is displaced by carbon monoxide to generate [Rh(CO)(2)(Li)][BF4] ([2][BF4]) in which in the solid state, the ligand L-1 adopts a facial kappa(3)N,N,O bonding mode. This is the first example of such a coordination mode for this ligand, which generally prefers a 'T-shaped' meridional bonding mode. In solution [2][BF4] exists as a mixture of two isomers in rapid equilibrium on the NMR time scale, [Rh(CO)(2)(L-1-kappa(2)N,N)](+) ([2a](+)) and the major compound [Rh(CO)(2)(L-1-kappa(3)N,N,O)](+)[2b](+). [2][BF4] looses easily one molecule of carbon monoxide at room temperature leading to [Rh(CO)(L-1-kappa(3)N,N,O)][BF4] ([3][BF4]) in which L, adopts a 'T-shaped' meridional bonding mode. Carbon monoxide addition in solution regenerates rapidly [2][BF4]. The single-crystal X-ray structures of [1][BF4], [2b][BF4] and [3][BF4] are reported. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00788-5
• 作为产物：
  描述：

  [Rh(I)(CO)(bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether)][BF4] 、 一氧化碳 以 not given 为溶剂， 生成 [Rh(I)(CO)2(bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether)][BF4]
  参考文献：
  名称：

  Study of the bonding properties of the bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether toward Rh(I): an hemilabile ligand exhibiting κ3N,N,O meridional or facial coordination mode

  摘要：

  The bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]ether ligand (L-1) reacts with [Rh(COD)(THF)(2)][BF4] generated in situ, giving [Rh(COD)(L-1-kappa(2)N,N)][BF4] ([1][BF4]). The 1,5-cyclooctadiene ligand is displaced by carbon monoxide to generate [Rh(CO)(2)(Li)][BF4] ([2][BF4]) in which in the solid state, the ligand L-1 adopts a facial kappa(3)N,N,O bonding mode. This is the first example of such a coordination mode for this ligand, which generally prefers a 'T-shaped' meridional bonding mode. In solution [2][BF4] exists as a mixture of two isomers in rapid equilibrium on the NMR time scale, [Rh(CO)(2)(L-1-kappa(2)N,N)](+) ([2a](+)) and the major compound [Rh(CO)(2)(L-1-kappa(3)N,N,O)](+)[2b](+). [2][BF4] looses easily one molecule of carbon monoxide at room temperature leading to [Rh(CO)(L-1-kappa(3)N,N,O)][BF4] ([3][BF4]) in which L, adopts a 'T-shaped' meridional bonding mode. Carbon monoxide addition in solution regenerates rapidly [2][BF4]. The single-crystal X-ray structures of [1][BF4], [2b][BF4] and [3][BF4] are reported. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00788-5