Synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives
Yükleniyor...
Dosyalar
Tarih
2019-03-22
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
SpringerLink
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
Attribution-NonCommercial-ShareAlike 3.0 United States
Attribution-NonCommercial-ShareAlike 3.0 United States
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.
Açıklama
Anahtar Kelimeler
Pyrimidine, Pyrimidine, DFT, DFT, MCRs, MCRs, Quantum Chemical Studies, Quantum Chemical Studies, Electrochemistry, Electrochemistry
Kaynak
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
131
Sayı
4
Künye
Akbaş, 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/s12039-019-1602-0