Theoretical investigation of corrosion of mild steel in acidic medium by triazole based schiffs base as inhibitor

The inhibitive performance of three triazoles namely diamino triazole (TA), anisaldine 3, 5-diaminotriazole (ATA), vanilidine 3,-diaminiotriazole (VTA) have been studied using DFT approach. The inhibitors investigated in B3LYP/6–31G** level in non-protonated and protonated forms are successfully proven to inhibit the corrosion of mild steel in acidic medium in the order VTA>ATA > TA. This is found to be consistent with the reported inhibition efficiencies. The electrostatic potential diagram gives a better idea on the inhibition phenomenon.