The magnetic shielding tensors of the proton and carbon nuclei have been rationalized by coupled Hartree-Focktheoretical studies. Orbital contributions are systematically analyzed and electron current density maps are shown, indicatingthe typical paramagnetic axial vortex of cyclic molecules. Satisfactory agreement with experimental carbon chemical shiftdata has been found for cyclopropane. The results show that any ring current hypothesis in either of these molecules is misleading.

Nuclear Magnetic Shielding in Cyclopropane and Cyclopropenyl Cation / Lazzeretti, Paolo; E., Rossi; R., Zanasi. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 105:(1983), pp. 12-15.

Nuclear Magnetic Shielding in Cyclopropane and Cyclopropenyl Cation

LAZZERETTI, Paolo;
1983-01-01

Abstract

The magnetic shielding tensors of the proton and carbon nuclei have been rationalized by coupled Hartree-Focktheoretical studies. Orbital contributions are systematically analyzed and electron current density maps are shown, indicatingthe typical paramagnetic axial vortex of cyclic molecules. Satisfactory agreement with experimental carbon chemical shiftdata has been found for cyclopropane. The results show that any ring current hypothesis in either of these molecules is misleading.
105
12
15
Nuclear Magnetic Shielding in Cyclopropane and Cyclopropenyl Cation / Lazzeretti, Paolo; E., Rossi; R., Zanasi. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 105:(1983), pp. 12-15.
Lazzeretti, Paolo; E., Rossi; R., Zanasi
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/454511
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