1-(1-ferrocenylethyl)pyridinium chloride | 1242100-99-7

• 英文名称: 1-(1-ferrocenylethyl)pyridinium chloride
• CAS: 1242100-99-7
• 化学式: C₁₇H₁₈FeN*Cl
• 分子量: 327.637
• InChiKey: FQAUBAAHTZFRGF-XVSRHIFFSA-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

• 作为反应物：
  描述：

  bis(tetrabutylammonium) hexatungstate 、 1-(1-ferrocenylethyl)pyridinium chloride 以 乙腈 为溶剂， 以75%的产率得到[1-(1-ferrocenylethyl)pyridinium]2[W₆O₁₉]
  参考文献：
  名称：

  Synthesis of 1-(1-ferrocenylethyl)-pyridinium chloride and its hybrid materials with lindquist-type polyoxometalates

  摘要：

  A new ferrocene derivative, 1-(1-ferrocenylethyl)-pyridinium (fep = CpFeCp-CH(CH(3))-Py(+)) chloride, and two charge-transfer salts (CTSs) based on the cationic fep donor and Lindqvist-type polyoxometalate acceptors, [fep](2)[Mo(6)O(19)] (1) and [fep](2)[W(6)O(19)] (2), were synthesized. fepCl was characterized by elemental analysis, IR spectroscopy and (1)H NMR and the two CTSs were characterized by elemental analysis, IR spectroscopy, UV-vis diffuse reflectance spectrum, cyclic voltammetry, fluorescence spectrum and single crystal X-ray diffraction. X-ray crystallographic studies of the brownish red CTSs 1 and 2 reveal that they are isostructural and crystallize in the monoclinic space group P2(1)/n. In salts 1-2, fep and polyoxoanions are cocrystallized by Coulombic forces, and there also exist the complex C-H center dot center dot center dot pi and pi center dot center dot center dot pi stacking interactions between the adjacent fep cations and C-H center dot center dot center dot O hydrogen bonds between the adjacent fep cations and polyanions. The UV-vis diffuse reflectance spectra indicate the presence of a broad charge-transfer band between 500 and 850 nm for 1-2, and CT character of 1 and 2 is also confirmed by the Mulliken correlation between the CT transition energies and the reduction potentials of the polyoxometalate acceptors. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.04.033
• 作为产物：
  描述：

  吡啶 、 1-ferrocenylethanol 、 三氯化磷 以 四氢呋喃 、 吡啶 为溶剂， 以55.2%的产率得到1-(1-ferrocenylethyl)pyridinium chloride
  参考文献：
  名称：

  Synthesis of 1-(1-ferrocenylethyl)-pyridinium chloride and its hybrid materials with lindquist-type polyoxometalates

  摘要：

  A new ferrocene derivative, 1-(1-ferrocenylethyl)-pyridinium (fep = CpFeCp-CH(CH(3))-Py(+)) chloride, and two charge-transfer salts (CTSs) based on the cationic fep donor and Lindqvist-type polyoxometalate acceptors, [fep](2)[Mo(6)O(19)] (1) and [fep](2)[W(6)O(19)] (2), were synthesized. fepCl was characterized by elemental analysis, IR spectroscopy and (1)H NMR and the two CTSs were characterized by elemental analysis, IR spectroscopy, UV-vis diffuse reflectance spectrum, cyclic voltammetry, fluorescence spectrum and single crystal X-ray diffraction. X-ray crystallographic studies of the brownish red CTSs 1 and 2 reveal that they are isostructural and crystallize in the monoclinic space group P2(1)/n. In salts 1-2, fep and polyoxoanions are cocrystallized by Coulombic forces, and there also exist the complex C-H center dot center dot center dot pi and pi center dot center dot center dot pi stacking interactions between the adjacent fep cations and C-H center dot center dot center dot O hydrogen bonds between the adjacent fep cations and polyanions. The UV-vis diffuse reflectance spectra indicate the presence of a broad charge-transfer band between 500 and 850 nm for 1-2, and CT character of 1 and 2 is also confirmed by the Mulliken correlation between the CT transition energies and the reduction potentials of the polyoxometalate acceptors. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.04.033