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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/131/04/0030

    • Keywords

       

      Pyrimidine; DFT; MCRs; quantum chemical studies; electrochemistry

    • Abstract

       

      In this study, 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives (1–5) were prepared via Multicomponent Cyclocondensation Reactions(MCRs). All structures were determinedbyusingFT-IR,1H/13CNMR and elementalanalyses. 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.

    • Author Affiliations

       

      ESVET AKBAS1 SAVAS CELIK1 ERDEM ERGAN2 ABDULKADIR LEVENT3

      1. Department of Chemistry, Faculty of Science, Van Yuzuncu Yil University, 65080 Van, Turkey
      2. Department of PropertyProtectionandSecurity,VanSecurityVocationalSchool,VanYuzuncuYilUniversity, 65080 Van, Turkey
      3. Department of Analytical Chemistry, Faculty of Science and Art, Batman University, 72100 Batman, Turkey
    • Dates

       
  • Journal of Chemical Sciences | News

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