Akademik Veri Yönetim Sistemi
JOURNAL OF COORDINATION CHEMISTRY, 2023 (SCI-Expanded)
The N2O2-tetradentate Schiff-base complex of zinc(II) was synthesized by the template reaction of 5-ethoxy-2-hydroxy-acetophenone-S-methylthiosemicarbazone and 2-hydroxy-benzaldehyde (1)/2-hydroxy-4-methoxy-benzaldehyde (2). The compounds were characterized by elemental analysis, UV-visible, FT-IR, H-1 NMR spectra, and thermogravimetric analyses. Antioxidant activities of the compounds were determined with Cupric Reducing Antioxidant Capacity and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assays. The molecular geometries and vibrational frequencies were calculated using density functional theory (DFT/B3LYP) with the 6-311++G(d,p) basis set. The H-1 NMR chemical shift values of the ligand and complexes in the ground state were calculated with the gauge-independent atomic orbital (GIAO) approach applying the same method and the basis set and compared with the experimental data. Using the TD-DFT method, electronic absorption spectra of the complexes were predicted at the same level. Also, the non-covalent interaction (NCI) plot index analysis reveals the presence of different kinds of non-covalent interactions in all complexes.