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

• Al3+ complexes.
• DFT calculations of metal complexes.
• TPTZ-complexes.
• Spectroscopy studies.
• Analytical reagent for Al3+ ions.

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.

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