Waziri, IbrahimWahab, Olaide O.Oselusi, Samson Olaitan2023-05-092023-05-092023Waziri, I. et al. (2023). Zinc(ii) complex of (z)-4-((4-nitrophenyl)amino)pent-3-en-2-one, a potential antimicrobial agent: Synthesis, characterization, antimicrobial screening, dft calculation and docking study. Bulletin of the Chemical Society of Ethiopia, 37(3), 633-651. 10.4314/bcse.v37i3.81011-392410.4314/bcse.v37i3.8http://hdl.handle.net/10566/8911Herein, the synthesis and characterizations of (Z)-4-((4-nitrophenyl)amino)pent-3-en-2-one (HL) ligand and its Zn(II) complex are reported. The compounds were characterized using elemental and thermogravimetric (TGA) analysis, electrochemical studies, FTIR, UV-Vis, 1H and 13C{H}NMR, HRMS, and PXRD techniques. Antimicrobial activity was screened on some Gram-positive and Gram-negative bacteria. DFT predictions were achieved using B3LYP, ωB97XD and M06-2X functional with 6-31+G(d, p) and LANL2DZ basis sets for nonmetallic and metallic atoms, respectively.enAntimicrobialSchiff basePharmaceuticalsZinc complexArticle