Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorRezende, Fátima M. P. de-
Autor(es): dc.creatorMoreira, Marilua A.-
Autor(es): dc.creatorCormanich, Rodrigo A.-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T12:40:49Z-
Data de disponibilização: dc.date.available2026-02-09T12:40:49Z-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2012-08-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41823-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1166141-
Descrição: dc.descriptionFour diastereoisomers of 2-fluorobicyclo[2.2.1]heptan-7-ols were computationally investigated by using quantum-chemical calculations, and their relative energies were analyzed on the basis of stereoelectronic interactions, particularly the presence or otherwise of the F∙∙∙HO intramolecular hydrogen bond in the syn-exo isomer. It was found through NBO and AIM analyses that such an interaction contributes to structural stabilization and that the 1hJF,H(O) coupling constant in the syn-exo isomer is modulated by the nF→σ*OH interaction, i.e., the quantum nature of the F∙∙∙HO hydrogen bond.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Publicador: dc.publisherBeilstein-Institut-
Direitos: dc.rightsAttribution 4.0 International-
Direitos: dc.rightsAttribution 4.0 International-
Direitos: dc.rightsacesso aberto-
Direitos: dc.rightshttp://creativecommons.org/licenses/by/4.0/-
Direitos: dc.rightshttp://creativecommons.org/licenses/by/4.0/-
???dc.source???: dc.sourceBeilstein Journal of Organic Chemistry-
Palavras-chave: dc.subjectConformational analysis-
Palavras-chave: dc.subject2-fluorobicyclo[2.2.1]heptan-7-ols-
Palavras-chave: dc.subjectHydrogen bond-
Palavras-chave: dc.subject1hJF,H(O) coupling constant-
Palavras-chave: dc.subjectQuantum-chemical calculations-
Título: dc.titleConformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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