Al₂(2,4,6-tri-(2-pyridyl)-1,3,5-triazine)Cl₆(EtOH)₂ | 1620000-14-7

• 英文名称: Al₂(2,4,6-tri-(2-pyridyl)-1,3,5-triazine)Cl₆(EtOH)₂
• CAS: 1620000-14-7
• 化学式: C₂₂H₂₄Al₂Cl₆N₆O₂
• 分子量: 671.153
• InChiKey: XWPVUBVSDBEGPY-UHFFFAOYSA-H

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：

  aluminum (III) chloride 、 乙醇 、 2,4,6-三(2-吡啶基)三嗪 反应 0.2h， 生成 Al₂(2,4,6-tri-(2-pyridyl)-1,3,5-triazine)Cl₆(EtOH)₂
  参考文献：
  名称：

  Spectroscopic, analytical and DFT calculation studies of two novel Al3+ complexes derived from 2,4,6-tri-(2-pyridyl)-1,3,5-triazine (TPTZ)

  摘要：

  In this study TPTZ is used exclusively as an analytical reagent for the determination of micro amounts of Al3+ ions with high accuracy and lower detection limit, which reach 2.7 ppm. The developed blue color of Al3+-TPTZ complex was used selectivity to determine the concentration and the geometry of the Al3+ complex using continuous variation and molar ratio methods. Also, the novel Al3+ complexes derived from the reaction of TPTZ were synthesized. The solid complexes were characterized by elemental analyses, spectral (IR, UV-vis., 1H NMR, mass) and magnetic measurements. The isolated complexes have the general formulae, [Al(TPTZ)Cl3]·H2O·1½EtOH (1:1; M:L) and [Al2(TPTZ)Cl6(EtOH)2] (2:1; M:L). IR spectra indicate that TPTZ behaves in a bidentate manner in case of 1:1 and 2:1 (M:L). Elemental analyses and mass spectra of the complexes suggest the existence of an octahedral structure around the Al3+ ions. DFT calculations were used to determine the geometry of complexes.

  DOI：

  10.1016/j.saa.2014.03.073