Fellah, Mehmet FerdiBakirdere, Emine GulhanCanpolat, ErdalKaya, Mehmet2021-03-202021-03-2020140019-4522https://hdl.handle.net/20.500.12885/1204The optimization and IR spectra of the [(4-aminophenyl)imino]methyl-6-methoxy-4-nitrophenol and its complexes with Co, Ni, Cu and Zn metals were determined by means of density functional theory (DFT) calculations using B3LYP formalism. The optimized geometries of complexes have tetrahedral structures. The C=N, C-O and N-H stretching frequency values were calculated to be in good agreement with experimental frequency data for ligand and its complexes with metals. All calculated frequencies are within 1.1% of the regions of experimental frequencies.eninfo:eu-repo/semantics/closedAccessDFTSchiff basetransition metal complexArticle91713211326WOS:000350096300016Q4Q4