fac,fac-[Re(bqp-κ³N)(CO)₃](Cl) | 1428644-96-5

• 英文名称: fac,fac-[Re(bqp-κ³N)(CO)₃](Cl)
• CAS: 1428644-96-5
• 化学式: C₂₆H₁₅N₃O₃Re*Cl
• 分子量: 639.083
• InChiKey: YEVOSPYJBKKZOA-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：

  2,6-di(quinolin-8-yl)pyridine 、 五羰基氯铼(I) 以 甲苯 为溶剂， 反应 6.0h， 以97%的产率得到fac,fac-[Re(bqp-κ³N)(CO)₃](Cl)
  参考文献：
  名称：

  Tricarbonyl rhenium complex of 2,6-bis(8′-quinolinyl)pyridine: Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

  摘要：

  2,6-Bis(8'-quinolinyl)pyridine (bqp) reacts with pentacarbonyl rhenium chloride in toluene to give fac, fac-[Re(bqp-kappa N-3)(CO)(3)](Cl). X-ray crystallographic data on fac,fac-[Re(bqp-kappa N-3)(CO)(3)](Cl) show that the bqp ligand and carbonyl ligands achieve a mutually facial arrangement. A mix of MLCT and pi-pi* ligand centered transitions is observed for the low energy UV-vis absorption bands. The complex is emissive in solution and appears to be dominated by a MLCT-based process. Electronic and structural characteristics are supported by DFT calculations. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2013.01.013