Why downfield proton chemical shifts are not reliable aromaticity indicators

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(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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Autor principal: Ferraro, Marta Beatriz
Publicado: 2005
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15237060_v7_n16_p3457_Faglioni
http://hdl.handle.net/20.500.12110/paper_15237060_v7_n16_p3457_Faglioni
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling paper:paper_15237060_v7_n16_p3457_Faglioni2023-06-08T16:19:28Z Why downfield proton chemical shifts are not reliable aromaticity indicators Ferraro, Marta Beatriz (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. 2005 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15237060_v7_n16_p3457_Faglioni http://hdl.handle.net/20.500.12110/paper_15237060_v7_n16_p3457_Faglioni
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection 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.
author Ferraro, Marta Beatriz
spellingShingle Ferraro, Marta Beatriz
Why downfield proton chemical shifts are not reliable aromaticity indicators
author_facet Ferraro, Marta Beatriz
author_sort Ferraro, Marta Beatriz
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
publishDate 2005
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15237060_v7_n16_p3457_Faglioni
http://hdl.handle.net/20.500.12110/paper_15237060_v7_n16_p3457_Faglioni
work_keys_str_mv AT ferraromartabeatriz whydownfieldprotonchemicalshiftsarenotreliablearomaticityindicators
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