Theoretical study of a new oxazolidine -5- one derivative as a corrosion inhibitor for carbon steel surface

A newly derivative of oxazolidin-5- one namely [2-(2-biphenyl-4-yl-imidazo [1,2-a] pyridine-3-yl)-3-(4-nitro-phenyl)-oxazolidin-5-one (BIPNO5)] was examined as an corrosion inhibitor for carbon steel surface. Quantum mechanical method Density Functional Theory (DFT) with (B3LYP (6-311++G (2d, 2p)) level theory used to calculate the minimize structure, physical properties and inhibition chemical parameters, in vacuum two solvents (DMSO H2O), all at equilibrium geometry. The results indicated that new could adsorb on surface through heteroatom, showing has good performance.