F···HO as the main transmission mechanism for 1hJF,H(O) coupling constant in 2'-fluoroflavonol

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorFonseca, Tânia A. O.-
Autor(es): dc.creatorRamalho, Teodorico C.-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T12:42:32Z-
Data de disponibilização: dc.date.available2026-02-09T12:42:32Z-
Data de envio: dc.date.issued2020-05-24-
Data de envio: dc.date.issued2020-05-24-
Data de envio: dc.date.issued2012-08-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41163-
Fonte completa do material: dc.identifierhttps://onlinelibrary.wiley.com/doi/abs/10.1002/mrc.3837-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1166700-
Descrição: dc.descriptionFlavonoids are useful compounds in medicinal chemistry and exhibit conformational isomerism, which is ruled by intramolecular interactions. One of the main intramolecular forces governing the stability of conformations is the hydrogen bond. Hydrogen bond involving fluorine covalently bonded to carbon has been found to be rare, but it appears in 2′‐fluoroflavonol, although the F···HO hydrogen bond cannot be considered the main effect governing the conformational stability of this compound. Because 19F is magnetically active and suitable for NMR studies, the 1hJF,H(O) coupling constant can be used as a probe for such an interaction in 2′‐fluoroflavonol. In fact, the 1hJF,H(O) coupling was computationally analyzed in this work, and the F···HO hydrogen bond was found to be its main transmission mechanism, which modulates this coupling in 2′‐fluoroflavonol, rather than overlap of proximate electronic clouds, such as in 2‐fluorophenol.-
Idioma: dc.languageen-
Publicador: dc.publisherWiley-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceMagnetic Resonance in Chemistry (MRC)-
Palavras-chave: dc.subject2′‐fluoroflavonol-
Palavras-chave: dc.subjectConformational analysis-
Palavras-chave: dc.subjectIntramolecular hydrogen bond-
Palavras-chave: dc.subjectCoupling constant-
Título: dc.titleF···HO as the main transmission mechanism for 1hJF,H(O) coupling constant in 2'-fluoroflavonol-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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