title: Spectroscopic, analytical and DFT calculation studies of two novel Al3+ complexes derived from 2,4,6-tri-(2-pyridyl)-1,3,5-triazine (TPTZ).
abstract: 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.
authors.affiliation: Chemistry Department, Faculty of Applied Sciences, Umm Al-Qura University, Makkah, Saudi Arabia.
authors.forename: Shaker J
authors.initials: SJ
authors.lastname: Azahari
authors.affiliation: Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt.
authors.forename: Mohamed H
authors.initials: MH
authors.lastname: Abdel Rhman
authors.affiliation: Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt. Electronic address: amohsenmostafa@yahoo.com.
authors.forename: Mohsen M
authors.initials: MM
authors.lastname: Mostafa
mesh_terms: D000535:Aluminum / Q000737:chemistry*; D056831:Coordination Complexes / Q000737:chemistry*; D004583:Electrons; D007700:Kinetics; D060328:Magnetic Phenomena; D013058:Mass Spectrometry; D008958:Models, Molecular; D008968:Molecular Conformation; D055620:Optical Phenomena; D066244:Proton Magnetic Resonance Spectroscopy; D011725:Pyridines / Q000737:chemistry*; D011789:Quantum Theory; D015203:Reproducibility of Results; D012996:Solutions; D013055:Spectrophotometry, Infrared; D013997:Time Factors; D014227:Triazines / Q000737:chemistry*
chemical_list: C541539:2,4,6-tris(2-pyridyl)-1,3,5-triazine; D056831:Coordination Complexes; D011725:Pyridines; D012996:Solutions; D014227:Triazines; D000535:Aluminum
keywords: (1)H NMR, electronic and IR spectra; 2,4,6-Tri-(2-pyridyl)-1,3,5-trazine (TPTZ); Al(3+) complexes; DFT calculations; Micro-determination of Al(3+)