Theoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitor

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dc.contributor.authorErgan, Erdem
dc.contributor.authorSeker, Nurullah
dc.contributor.authorAkbas, Begum Cagla
dc.contributor.authorAkbas, Esvet
dc.date.accessioned2024-08-04T20:52:05Z
dc.date.available2024-08-04T20:52:05Z
dc.date.issued2022
dc.departmentİnönü Üniversitesien_US
dc.description.abstractIn this work, we wanted to define a general and comprehensive strategy for the synthesis of tetrazolo[1,5-a]pyrimidine derivatives. For this purpose, we obtained new tetrazolo[1,5-a]pyrimidine molecules via the mercury-promoted desulfurization reaction, including hydrolysis, cyclizations, and eliminations. All of the molecules were characterized by FT-IR, H-1-NMR, C-13-NMR, and elemental analysis. On the other hand, the potentials of compounds as corrosion inhibitors were calculated at B3LYP/6-31G (d, p) level via density functional theory (DFT).en_US
dc.description.sponsorshipVanYYU [FYL-2018-7181]en_US
dc.description.sponsorshipThis work was supported by the VanYYU, Project No: FYL-2018-7181.en_US
dc.identifier.doi10.2298/JSC210419067G
dc.identifier.endpage587en_US
dc.identifier.issn0352-5139
dc.identifier.issue5en_US
dc.identifier.scopus2-s2.0-85132715053en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage575en_US
dc.identifier.urihttps://doi.org/10.2298/JSC210419067G
dc.identifier.urihttps://hdl.handle.net/11616/100742
dc.identifier.volume87en_US
dc.identifier.wosWOS:000777333700001en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSerbian Chemical Socen_US
dc.relation.ispartofJournal of The Serbian Chemical Societyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectdesulfurizationen_US
dc.subjectDFTen_US
dc.subjectcharacterizationen_US
dc.subjectquantum chemical studiesen_US
dc.subjectsodium azide5en_US
dc.titleTheoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitoren_US
dc.typeArticleen_US

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