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 ð-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 ð-current. The validity of the ring-current model is reaffirmed.

Why downfield proton chemical shifts are not reliable aromaticity indicators

ZANASI, Riccardo;
2005

Abstract

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 ð-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 ð-current. The validity of the ring-current model is reaffirmed.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11386/1058336
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