An article Synthesis, characterization and theoretical studies of novel pyrimidine derivatives as potential corrosion inhibitors WOS:000529068400005 published article about DENSITY-FUNCTIONAL THERMOCHEMISTRY; ONE-POT SYNTHESIS; MILD-STEEL; ACID; DFT in [Akbas, Esvet; Yildiz, Ela; Erdogan, Ahmet] Van Yuzuncu Yil Univ, Dept Chem, TR-65080 Van, Turkey in 2020.0, Cited 21.0. Safety of 1-Phenylurea. The Name is 1-Phenylurea. Through research, I have a further understanding and discovery of 64-10-8
In this study, five new pyrimidine derivatives were synthesized and characterized by characterization methods such as H-1-NMR, C-13-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.
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