fac-[Re(CO)3(bis(diphenylphosphino)ethane)(pyridazine)][BF4] | 187731-20-0

• 英文名称: fac-[Re(CO)3(bis(diphenylphosphino)ethane)(pyridazine)][BF4]
• CAS: 187731-20-0
• 化学式: BF₄*C₃₃H₂₈N₂O₃P₂Re
• 分子量: 835.556
• InChiKey: DPQWXCVDWQGFRO-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

• 作为产物：
  描述：

  哒嗪 、 [Re(CO)3Br{κ²-P,P′-bis(diphenylphosphino)ethane}] 、 silver tetrafluoroborate 以 四氢呋喃 为溶剂， 以70%的产率得到fac-[Re(CO)3(bis(diphenylphosphino)ethane)(pyridazine)][BF4]
  参考文献：
  名称：

  1,2-Metallotropic shifts in tricarbonylrhenium(I) complexes of pyridazine (pydz): a dynamic NMR investigation of the effects of cis-chelating ligands

  摘要：

  Complexes of general formula fac-[Re(CO)(3)(L-L)(pydz)][BF4] (L-L=neutral bidentate chelate ligand; pydz=pyridazine) were prepared in high yield from fac-[ReBr(CO)(3)(L-L)]. The pyridazine ligand coordinates to the metal moiety in a monodentate fashion, and undergoes a facile intramolecular 1,2-Re-N shift. The kinetics of the 1,2-metallotropic shift were measured by either one-dimensional NMR bandshape analysis or two-dimensional exchange spectroscopy. The free energies of activation, Delta G(not equal) (298 K), were found to be dependent on the nature of the chelate ligand, and were in the range 77-87 kl mol(-1). The origins of the chelate ligand effects are discussed.

  DOI：

  10.1016/s0020-1693(96)05339-x