Why downfield proton chemical shifts are not reliable aromaticity indicators
(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...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_15237060_v7_n16_p3457_Faglioni |
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todo:paper_15237060_v7_n16_p3457_Faglioni2023-10-03T16:20:55Z Why downfield proton chemical shifts are not reliable aromaticity indicators Faglioni, F. Ligabue, A. Pelloni, S. Soncini, A. Viglione, R.G. Ferraro, M.B. Zanasi, R. Lazzeretti, P. (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. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_15237060_v7_n16_p3457_Faglioni |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
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R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
(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. |
| format |
JOUR |
| author |
Faglioni, F. Ligabue, A. Pelloni, S. Soncini, A. Viglione, R.G. Ferraro, M.B. Zanasi, R. Lazzeretti, P. |
| spellingShingle |
Faglioni, F. Ligabue, A. Pelloni, S. Soncini, A. Viglione, R.G. Ferraro, M.B. Zanasi, R. Lazzeretti, P. Why downfield proton chemical shifts are not reliable aromaticity indicators |
| author_facet |
Faglioni, F. Ligabue, A. Pelloni, S. Soncini, A. Viglione, R.G. Ferraro, M.B. Zanasi, R. Lazzeretti, P. |
| author_sort |
Faglioni, F. |
| title |
Why downfield proton chemical shifts are not reliable aromaticity indicators |
| title_short |
Why downfield proton chemical shifts are not reliable aromaticity indicators |
| title_full |
Why downfield proton chemical shifts are not reliable aromaticity indicators |
| title_fullStr |
Why downfield proton chemical shifts are not reliable aromaticity indicators |
| title_full_unstemmed |
Why downfield proton chemical shifts are not reliable aromaticity indicators |
| title_sort |
why downfield proton chemical shifts are not reliable aromaticity indicators |
| url |
http://hdl.handle.net/20.500.12110/paper_15237060_v7_n16_p3457_Faglioni |
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