(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. © 2005 American Chemical Society.
Why downfield proton chemical shifts are not reliable aromaticity indicators
Soncini A.;
2005
Abstract
(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. © 2005 American Chemical Society.
File in questo prodotto:
| File | Dimensione | Formato | |
|---|---|---|---|
|
CONICET_Digital_Nro.74a96a33-e688-46f8-9b76-fffa72ce1a23_A.pdf
accesso aperto
Tipologia:
Published (Publisher's Version of Record)
Licenza:
Creative commons
Dimensione
142.04 kB
Formato
Adobe PDF
|
142.04 kB | Adobe PDF | Visualizza/Apri |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
