Analysis of tautomeric equilibrium in (E)-4,6-dibromo-2-[(4-fluorophenylimino)methyl]-3-methoxyphenol compound

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dc.authoridgur, mahmut/0000-0001-9942-6324
dc.authoridKastas, Gokhan/0000-0002-5956-405X
dc.authoridAlbayrak kastas, Cigdem/0000-0003-0235-7460
dc.contributor.authorKastas, Cigdem Albayrak
dc.contributor.authorKastas, Gokhan
dc.contributor.authorGur, Mahmut
dc.contributor.authorMuglu, Halit
dc.contributor.authorBuyukgungor, Orhan
dc.date.accessioned2025-03-23T19:37:58Z
dc.date.available2025-03-23T19:37:58Z
dc.date.issued2015
dc.departmentSinop Üniversitesi
dc.description.abstractIn this study, the tautomeric equilibrium between the phenol-imine and keto-amine structural forms of (E)-4,6-dibromo-2-[(4-fluorophenylimino)methyl]-3-methoxyphenol compound has been investigated with experimental (XRD, UV-vis and NMR) and theoretical (DFT and TD-DFT) methods. The results clearly show that structural preference of the compound is definitely depended on its state. Namely, the compound exists in phenol-imine form in the solid state while one or both of these forms can be seen in solvent media. For example, the compound prefers phenol-imine form in benzene while both forms exist in EtOH and DMSO solvents. Coexistence of two forms has been quantified with NMR studies, giving a ratio of 11:9 for phenol and keto structures of the compound in acetone-d(6) solvent. (C) 2015 Elsevier B.V. All rights reserved.
dc.description.sponsorshipSinop University in Turkey [EGTF-1901-12-03]
dc.description.sponsorshipThis study was financially supported by Sinop University in Turkey (project No. EGTF-1901-12-03).
dc.identifier.doi10.1016/j.saa.2015.07.030
dc.identifier.endpage738
dc.identifier.issn1386-1425
dc.identifier.issn1873-3557
dc.identifier.pmid26172460
dc.identifier.scopus2-s2.0-84938093704
dc.identifier.scopusqualityQ1
dc.identifier.startpage731
dc.identifier.urihttps://doi.org/10.1016/j.saa.2015.07.030
dc.identifier.urihttps://hdl.handle.net/11486/6057
dc.identifier.volume151
dc.identifier.wosWOS:000361861300092
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofSpectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectSchiff base
dc.subjectTautomerism
dc.subjectPhenol-imine
dc.subjectKeto-amine
dc.subjectX-ray
dc.subjectNMR
dc.titleAnalysis of tautomeric equilibrium in (E)-4,6-dibromo-2-[(4-fluorophenylimino)methyl]-3-methoxyphenol compound
dc.typeArticle

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