Synthesis, characterization and theoretical studies of novel pyrimidine derivatives as potential corrosion inhibitors

Esvet Akbas, Ela Yildiz, Ahmet Erdogan

Abstract


In this study, five new pyrimidine derivatives were synthesized and characterized by characterization methods such as 1H-NMR, 13C-NMR, FT-
-IR and elemental analysis. The corrosion inhibition activity of the synthesized com­pounds was examined by theoretical calculation using DFT method at the level of B3LYP/6-31G (d,p). According to the calculations, 4-(6-benzoyl-2-
-ben­zylidene-3-oxo-7-phenyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-yl)­benzoic acid (6) appears to be a good inhibitor for corrosion.


Keywords


corrosion inhibition; DFT; pyrimidine; characterization

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DOI: https://doi.org/10.2298/JSC190326081A

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