Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule

The differential Biot-Savart law of classical electrodynamics was applied to develop a ring current model for the magnetic shielding of the carbon nucleus in benzene. It is shown that the local effect of the π currents, induced by a magnetic field normal to the molecular plane, on the σC out-of-plan...

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Autor principal:	Ferraro, Marta Beatriz
Publicado:	2005
Materias:	Benzene Carbon Differential Biot-Savart law Magnetic shielding NMR Ring current benzene carbon article atom density electric current magnetism molecular model quantum mechanics chemistry mathematics methodology nuclear magnetic resonance spectroscopy quantum theory Magnetic Resonance Spectroscopy Mathematics Quantum Theory
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v43_n4_p316_Ferraro http://hdl.handle.net/20.500.12110/paper_07491581_v43_n4_p316_Ferraro
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_07491581_v43_n4_p316_Ferraro
record_format	dspace
spelling	paper:paper_07491581_v43_n4_p316_Ferraro2023-06-08T15:45:36Z Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule Ferraro, Marta Beatriz Benzene Carbon Differential Biot-Savart law Magnetic shielding NMR Ring current benzene carbon article atom density electric current magnetism molecular model quantum mechanics chemistry mathematics methodology nuclear magnetic resonance spectroscopy quantum theory Benzene Carbon Magnetic Resonance Spectroscopy Mathematics Quantum Theory The differential Biot-Savart law of classical electrodynamics was applied to develop a ring current model for the magnetic shielding of the carbon nucleus in benzene. It is shown that the local effect of the π currents, induced by a magnetic field normal to the molecular plane, on the σC out-of-plane shielding tensor component vanishes. However, approximately 10% of σC is due to the shielding contributions from π current density in the region of the other carbon atoms. Magnetic shielding density maps obtained via quantum mechanical procedures confirm the predictions of the classical model. Copyright © 2004 John Wiley & Sons, Ltd. 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_07491581_v43_n4_p316_Ferraro http://hdl.handle.net/20.500.12110/paper_07491581_v43_n4_p316_Ferraro
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Benzene Carbon Differential Biot-Savart law Magnetic shielding NMR Ring current benzene carbon article atom density electric current magnetism molecular model quantum mechanics chemistry mathematics methodology nuclear magnetic resonance spectroscopy quantum theory Benzene Carbon Magnetic Resonance Spectroscopy Mathematics Quantum Theory
spellingShingle	Benzene Carbon Differential Biot-Savart law Magnetic shielding NMR Ring current benzene carbon article atom density electric current magnetism molecular model quantum mechanics chemistry mathematics methodology nuclear magnetic resonance spectroscopy quantum theory Benzene Carbon Magnetic Resonance Spectroscopy Mathematics Quantum Theory Ferraro, Marta Beatriz Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
topic_facet	Benzene Carbon Differential Biot-Savart law Magnetic shielding NMR Ring current benzene carbon article atom density electric current magnetism molecular model quantum mechanics chemistry mathematics methodology nuclear magnetic resonance spectroscopy quantum theory Benzene Carbon Magnetic Resonance Spectroscopy Mathematics Quantum Theory
description	The differential Biot-Savart law of classical electrodynamics was applied to develop a ring current model for the magnetic shielding of the carbon nucleus in benzene. It is shown that the local effect of the π currents, induced by a magnetic field normal to the molecular plane, on the σC out-of-plane shielding tensor component vanishes. However, approximately 10% of σC is due to the shielding contributions from π current density in the region of the other carbon atoms. Magnetic shielding density maps obtained via quantum mechanical procedures confirm the predictions of the classical model. Copyright © 2004 John Wiley & Sons, Ltd.
author	Ferraro, Marta Beatriz
author_facet	Ferraro, Marta Beatriz
author_sort	Ferraro, Marta Beatriz
title	Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
title_short	Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
title_full	Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
title_fullStr	Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
title_full_unstemmed	Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
title_sort	ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
publishDate	2005
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v43_n4_p316_Ferraro http://hdl.handle.net/20.500.12110/paper_07491581_v43_n4_p316_Ferraro
work_keys_str_mv	AT ferraromartabeatriz ringcurrenteffectsonnuclearmagneticshieldingofcarboninthebenzenemolecule
_version_	1768544871322222592

Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule

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