Crystal structure, 1 H and 13C NMR spectral studies of 1,2,4,5-oxadiazaborole derivatives

dc.contributor.authorPir, Meryem
dc.contributor.authorAğırbaş, Hikmet
dc.contributor.authorŞahin, Onur
dc.date.accessioned2025-03-23T19:13:02Z
dc.date.available2025-03-23T19:13:02Z
dc.date.issued2019
dc.departmentSinop Üniversitesi
dc.description.abstractSubstituent effects on 1H and 13C NMR chemical shifts of 5-substituted phenyl3-phenyl-4,5-dihydro-1,2,4,5-oxadiazaboroles (1a-r) were studied respectively.Single and duel substituent parameters were used for the correlation analysis ofsubstituent-induced chemical shifts with σ, F and R constants. The calculationshave shown the polar and resonance substituent effects on N-H proton and C=Ncarbon atoms. The ρ value was found positive for compounds (1a-r), which meansthat the substituent effect is normal. Additionally, crystal structure of compound(1i) was also studied. Density functional theory (DFT) calculations were carriedout to calculate the theoretical chemical shifts, bond distances and bond angles.
dc.identifier.endpage186
dc.identifier.issn2149-9020
dc.identifier.issn2667-8438
dc.identifier.issue4
dc.identifier.startpage180
dc.identifier.trdizinid382943
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/382943
dc.identifier.urihttps://hdl.handle.net/11486/3981
dc.identifier.volume4
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofBOR DERGİSİ
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_TR_20250323
dc.subjectKimya
dc.subjectOrganik
dc.subjectKimya
dc.subjectTıbbi
dc.titleCrystal structure, 1 H and 13C NMR spectral studies of 1,2,4,5-oxadiazaborole derivatives
dc.typeArticle

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