Akbas, EsvetCelik, SavasErgan, ErdemLevent, Abdulkadir2025-05-102025-05-1020190974-36260973-710310.1007/s12039-019-1602-02-s2.0-85063349681https://doi.org/10.1007/s12039-019-1602-0https://hdl.handle.net/20.500.14720/13599Levent, Abdulkadir/0000-0001-5792-419XIn this study, 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives (1-5) were prepared via Multicomponent Cyclocondensation Reactions (MCRs). All structures were determined by using FT-IR, 1H/13C NMR and elemental analyses. The compounds were investigated as corrosion inhibitors using density functional theory (DFT) at the level of B3LYP/6-31G (d, p). According to the calculations, compound 1 appears to be a good inhibitor for corrosion. In addition, the electrochemical properties of the novel systems were investigated by CV.Graphical Abstract:The synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives are reported.eninfo:eu-repo/semantics/openAccessPyrimidineDftMcrsQuantum Chemical StudiesElectrochemistryArticle1314Q3Q3WOS:000462210000005