Theoretical (DFT) and experimental (FT-IR, FT-Raman, FT-NMR) investigations on 7-Acetoxy-4-(bromomethyl)coumarin

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dc.contributor.authorErdogdu, Y.
dc.contributor.authorSaglam, S.
dc.contributor.authorDereli, O.
dc.date.accessioned2024-02-23T14:26:10Z
dc.date.available2024-02-23T14:26:10Z
dc.date.issued2015
dc.departmentNEÜen_US
dc.description.abstractAn analysis of the results of the structural and spectroscopic studies of 7-Acetoxy-4-(bromomethyl) coumarin (7A4BMC) molecule were performed by FT-IR, FT-Raman, FT-NMR and quantum chemical calculations. The FT-IR and FT-Raman spectra of 7A4BMC were recorded in the 400-4000 and 50-3500 cm(-1) region, respectively. The molecular conformations of 7A4BMC were computed at the B3LYP/6-311++G(d,p) level of theory. Molecular structure and spectral calculations were calculated by means of B3LYP with 6-311++G(d,p), cc-pVDZ and cc-pVTZ basis sets. The whole vibrational characteristics of the 7A4BMC molecule are given.en_US
dc.identifier.doi10.1134/S0030400X15090076
dc.identifier.endpage423en_US
dc.identifier.issn0030-400X
dc.identifier.issn1562-6911
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-84941949102en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage411en_US
dc.identifier.urihttps://doi.org/10.1134/S0030400X15090076
dc.identifier.urihttps://hdl.handle.net/20.500.12452/14079
dc.identifier.volume119en_US
dc.identifier.wosWOS:000361493300012en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherPleiades Publishing Incen_US
dc.relation.ispartofOptics And Spectroscopyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject[Keyword Not Available]en_US
dc.titleTheoretical (DFT) and experimental (FT-IR, FT-Raman, FT-NMR) investigations on 7-Acetoxy-4-(bromomethyl)coumarinen_US
dc.typeArticleen_US

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