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Öğe Synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives(SpringerLink, 2019-03-22) Akbaş, Esvet; Çelik, Savaş; Ergan, Erdem; Levent, AbdulkadirIn 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.Öğe Synthesis of some novel pyrimidine derivatives and investigation of their electrochemical behavior(Wiley-Blackwell, 2010-12-20) Akbaş, Esvet; Levent, Abdulkadir; Gümüş, Selçuk; Sümer, Mehmet Rauf; Akyazı, İnci2-Iminopyrimidines (1a-e) and 2-thioxopyrimidine (2) were synthesized using the Biginelli three component cyclocondensation reaction of an appropriate β-diketone, arylaldehyde, and guanidine (for 1a-e) or thiourea (for 2). The electrochemical properties of the novel systems were investigated by CV and DPV. Moreover, B3LYP/6-31G(d,p) method was applied to the present structures in order to gather some structural and physicochemical data
