Synthesis, characterization, anticorrosion, and computational study of new thiadiazole-oxadiazole derivatives with some transition metal ion

2,2’-((1,3,4-Thiadiazole-2,5-diyl)bis(hydrazine-2,1-diyl))bis(1,3,4-oxadiazole-5,e2-diyll) is a novel heterocyclic ligand. Diphenol was produced together with its compounds with Cu(II), Ni(ll), and Co(ll). The 1H-NMR, mass, Fourier transform infrared (FT-IR), magnetic susceptibility, atomic absorption, elemental analysis [C, H, N, and S], conductance studies, and other factors have all been used to describe the ligand and its complexes. In a 1 M HCl solution, the ligand’s ability to prevent carbon steel alloy corrosion was evaluated. The weight loss technique was used to measure the corrosion inhibition effectiveness. It was discovered that the inhibitor and the Fe2+ ion formed a combination. However, at B3LYP/6-311++G level of theory, quantum chemical calculations were carried out utilizing the DFT approach. Theoretical and experimental findings were found to be in excellent agreement. The electrostatic potential of the produced compounds was studied using the PM3 technique and the Hyperchem 8.02 software for theoretical accounting.