Synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives
JOURNAL OF CHEMICAL SCIENCES, cilt.131, sa.4, 2019 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 131 Sayı: 4
- Basım Tarihi: 2019
- Doi Numarası: 10.1007/s12039-019-1602-0
- Dergi Adı: JOURNAL OF CHEMICAL SCIENCES
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Anahtar Kelimeler: Pyrimidine, DFT, MCRs, quantum chemical studies, electrochemistry, PYRIMIDINE-DERIVATIVES, CORROSION INHIBITION, STEEL
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Van Yüzüncü Yıl Üniversitesi Adresli: Evet
Özet
In 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.