Synthesis, characterization, DFT, and biological studies mixed ligand metal complexes containing of a new Schiff base ligand and 2-aminopropane-1,3-diol
نویسندگان
1 Department of Chemistry, Faculty of Science and Health, Koya University, Danielle Mitterrand Boulevard, Koya KOY45, Kurdistan Region - F.R. Iraq
2 Chemistry Department, College of Science, University of Raparin, Rania, 46012, Sulaymaniyah, Iraq.
doi
10.22034/crl.2025.514151.1569چکیده
The Schiff base ligand (Z)-2-((2-amino-3,5-dibromobenzylidene)amino)phenol, was synthesized through a condensation reaction between 2-amino-3,5-dibromobenzaldehyde and 2-aminophenol in a 1:1 molar ratio. The structure of the ligand was confirmed and characterized by using various spectroscopic techniques including FT-IR, UV-visible, ¹H and ¹³C-NMR spectroscopy, electron ionization mass spectrometry (EI-MS) and supported by DFT-optimized structures. The melting point of the compound was also determined. The metal complexes were synthesized by the reacting of Schiff base ligand with Ni(II), Mn(II), Cu(II) and Co(II) ions in 2:1 ligand-to-metal molar ratio. The resulting complexes have the general formulas [M(L)(C3H7NO2)] where M = Ni(II), Mn(II) and Cu(II) and [Co(L)2] for the cobalt complex, where C3H7NO2 represents 2-aminopropane-1,3-diol. The complexes were characterized by FT-IR, UV-visible, molar conductance, magnetic moment measurements and melting point. The low molar conductance values indicate a non-electrolytic nature, while magnetic moment data confirm a tetrahedral geometry around all metal centers Ni(II), Mn(II), Cu(II) and Co(II). Furthermore, Antibacterial activity was evaluated by inhibition zone measurement. The ligand and its complexes was tested against Staphylococcus aureus and Pseudomonas aeruginosa, as a result complexes Mn(II) and Cu(II) showed antibacterial activity . Finally, the DFT studies assisted to better understand of the electronics structure, reactivity and stability of ligands.