Synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives

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Küçük Resim

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

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