Artículo
Why downfield proton chemical shifts are not reliable aromaticity indicators
Faglioni, F.; Ligabue, A.; Pelloni, Stefano; Soncini, A.; Viglione, R.G.; Ferraro, Marta Beatriz
; Zanasi, R.; Lazzeretti, Paolo
Fecha de publicación:
12/2005
Editorial:
American Chemical Society
Revista:
Organic Letters
ISSN:
1523-7060
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
(Chemical Equation Presented) Traces of magnetizability, traces of magnetic shielding at the hydrogen nuclei, and nucleus-independent chemical shift are not reliable aromaticity quantifiers for planar conjugated hydrocarbons. A measure of aromaticity is provided by the out-of-plane tensor components, whose magnitude is influenced by the π-ring currents. The failure of nucleus-independent chemical shift in this regard was proved for the molecule shown in the abstract graphic, sustaining a diatropic π-current. The validity of the ring-current model is reaffirmed.
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Articulos(IFIBA)
Articulos de INST.DE FISICA DE BUENOS AIRES
Articulos de INST.DE FISICA DE BUENOS AIRES
Citación
Faglioni, F.; Ligabue, A.; Pelloni, Stefano; Soncini, A.; Viglione, R.G.; et al.; Why downfield proton chemical shifts are not reliable aromaticity indicators; American Chemical Society; Organic Letters; 7; 16; 12-2005; 3457-3460
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