Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule
| Autor: | Francesco Faglioni, Paolo Lazzeretti, M. B. Ferraro, Stefano Pelloni, Andrea Ligabue |
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| Rok vydání: | 2005 |
| Předmět: |
Magnetic Resonance Spectroscopy
BENZENE Ciencias Físicas Molecular physics CARBON Classical electromagnetism Shielding effect General Materials Science RING CURRENT Tensor MAGNETIC SHIELDING Ring current Condensed matter physics Chemistry Ring currents nuclear magnetic shielding of carbon benzene molecule differential Biot-Savart law Benzene General Chemistry Aromatic ring current Carbon NMR Magnetic field Astronomía DIFFERENTIAL BIOT-SAVART LAW Electromagnetic shielding Quantum Theory Current density Mathematics CIENCIAS NATURALES Y EXACTAS |
| Zdroj: | Magnetic Resonance in Chemistry. 43:316-320 |
| ISSN: | 1097-458X 0749-1581 |
| Popis: | 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. Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina Fil: Faglioni, F.. Università Di Modena E Reggio Emilia.; Italia Fil: Ligabue, A.. Università Di Modena E Reggio Emilia.; Italia Fil: Pelloni, Stefano. Università Di Modena E Reggio Emilia.; Italia Fil: Lazzeretti, Paolo. Università Di Modena E Reggio Emilia.; Italia |
| Databáze: | OpenAIRE |
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