ABSTRACT. A new three metal complexes of La(III), Ce(IV) and UO2(II) ions have been synthesized based on a Schiff base derived from the condensation of L-histidine and anisaldehyde. All prepared compounds were characterized by different spectroscopic techniques and Density-functional theory (DFT) calculations. The complexes were proposed to have an octahedral structure based on the investigated results. The optimized shape, numbering system, and dipole moment vector of Ligand and La, Ce, and UO2 (1:1) chelates were investigated. The Schiff base ligand and complexes exhibit moderate action against all of the bacteria tested, with P. aeruginosa, Klebsiella sp., and E. faecalis respectively being the order of inhibition.   KEY WORDS: 2-Anisaldehyde, Biological activity, DFT, L-Histidine, Metal complexes, Schiff base   Bull. Chem. Soc. Ethiop. 2023, 37(2), 335-346.                                                                DOI: https://dx.doi.org/10.4314/bcse.v37i2.7