F...HO intramolecular hydrogen bond forming five-membered rings hardly appears in monocyclic organofluorine compounds

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorCormanich, Rodrigo A.-
Autor(es): dc.creatorFreitas, Matheus P.-
Autor(es): dc.creatorTormena, Cláudio F.-
Autor(es): dc.creatorRittner, Roberto-
Data de aceite: dc.date.accessioned2026-02-09T12:24:17Z-
Data de disponibilização: dc.date.available2026-02-09T12:24:17Z-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2012-03-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41820-
Fonte completa do material: dc.identifierhttps://pubs.rsc.org/en/content/articlelanding/2012/RA/c2ra00039c#!divAbstract-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1160625-
Descrição: dc.descriptionThis paper emphasizes that fluorine atoms in organic molecules need special geometric requirements to experience intramolecular hydrogen bonds (H-bonds). Calculations at the B3LYP/aug-cc-pVDZ theoretical level and using the quantum theory of atoms in molecules applied over a series of monocyclic compounds, which have similar C[double bond, length as m-dash]C(F)–C(OH)[double bond, length as m-dash]C fragments, predict that the F⋯HO intramolecular H-bond does not exist when forming five-membered rings. Indeed, it is shown that the geometric restrictions imposed by the rigid rings are the main reasons in preventing fluorine participating in such a F⋯HO intramolecular H-bond.-
Idioma: dc.languageen-
Publicador: dc.publisherRoyal Society of Chemistry (RSC)-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceRSC Advances-
Palavras-chave: dc.subjectFluorine-
Palavras-chave: dc.subjectH-bonds-
Palavras-chave: dc.subjectMonocyclic compounds-
Título: dc.titleF...HO intramolecular hydrogen bond forming five-membered rings hardly appears in monocyclic organofluorine compounds-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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