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

✍ Scribed by M. B. Ferraro; F. Faglioni; A. Ligabue; S. Pelloni; P. Lazzeretti

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
204 KB
Volume
43
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

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 $\sigma_{|}^{\rm C}$ out‐of‐plane shielding tensor component vanishes. However, approximately 10% of $\sigma_{|}^{\rm C}$ 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.

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