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|Type:||Artigo de periódico|
|Title:||The F center dot center dot center dot HO intramolecular hydrogen bond forming five-membered rings hardly appear in monocyclic organofluorine compounds|
|Abstract:||This 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 = C(F)-C(OH)= C fragments, predict that the F center dot center dot center dot 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 center dot center dot center dot HO intramolecular H-bond.|
|Editor:||Royal Soc Chemistry|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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