(2-isopropylamino-7,8-benzoquinolinato)hydrido(fluoro)bis(triphenylphosphine)iridium(III) | 224564-91-4

• 英文名称: (2-isopropylamino-7,8-benzoquinolinato)hydrido(fluoro)bis(triphenylphosphine)iridium(III)
• CAS: 224564-91-4
• 化学式: C₅₂H₄₆FIrN₂P₂
• 分子量: 972.117
• InChiKey: VUTMYCPQIYUXHI-UHFFFAOYSA-M

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：

  (2-isopropylamino-7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrafluoroborate 、 四丁基氟化铵 以 丙酮 为溶剂， 以70%的产率得到(2-isopropylamino-7,8-benzoquinolinato)hydrido(fluoro)bis(triphenylphosphine)iridium(III)
  参考文献：
  名称：

  Effects of a Nonligating Pendant Hydrogen-Bonding Group in a Metal Complex:  Stabilization of an HF Complex

  摘要：

  An amino group has been appended to a benzoquinolinato ligand (bq-NH2 or bq-NH(i-Pr)) in such a way that it can hydrogen bond to a ligand that is also bound to the metal. The effects of this two-point binding are studied. The complexes [(bq-NHR)IrH(L)(PPh3)(2)]BF4 (R = H, i-Pr) were synthesized where L = H2O, F, The hydrogen-bonding pattern in the water complex is probed by crystallographic, IR, and NMR studies. The fluoro complexes protonate at -90 degrees C to give unstable hydrogen fluoride complexes, characterized by NMR ((1)J(HF) = 440 Hz, bq-NH2; 430 Hz, bq-NH(i-Pr)). Comparison with results for the corresponding bq-H and bq-CH3 species suggests that the hydrogen bonding provided by the pendant amino group is the key factor that allows stabilization of the HF complex, a previously unknown species. Crystal structures of an aqua and a fluoro derivative are reported.

  DOI：

  10.1021/om9809769