Akbaş, EsvetÇelik, SavaşErgan, ErdemLevent, Abdulkadir2021-03-222021-03-222019-03-22Akbaş, E., Çelik, S., Ergan, E., Levent, A. (2019). Synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives. Journal of Chemical Sciences, 131 (4), pp. 0-0. https://doi.org/10.1007/s12039-019-1602-00974-3626https://doi.org/10.1007/s12039-019-1602-0https://link.springer.com/content/pdf/10.1007/s12039-019-1602-0.pdfhttps://hdl.handle.net/20.500.12402/2750In 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.eninfo:eu-repo/semantics/embargoedAccessAttribution-NonCommercial-ShareAlike 3.0 United StatesPyrimidinePyrimidineDFTDFTMCRsMCRsQuantum Chemical StudiesQuantum Chemical StudiesElectrochemistryElectrochemistryArticle131400Q3Q3