We present results of a quantum-mechanical calculation of electron current density, magnetic susceptibility and proton magnetic shielding in the cyclopropenyl cation, reflecting on the ring-current model. The current density induced in and out of the molecular plane by a perpendicular magnetic field is plotted, showing the existence of localized distributions and paramagnetic circulations around the centre of the molecule.
Inconsistency of the Ring Current Model for the Cyclopropenyl Cation / Lazzeretti, P., R., Z.. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 80:(1981), pp. 533-536. [10.1016/0009-2614(81)85072-3]
Inconsistency of the Ring Current Model for the Cyclopropenyl Cation
LAZZERETTI, Paolo;
1981
Abstract
We present results of a quantum-mechanical calculation of electron current density, magnetic susceptibility and proton magnetic shielding in the cyclopropenyl cation, reflecting on the ring-current model. The current density induced in and out of the molecular plane by a perpendicular magnetic field is plotted, showing the existence of localized distributions and paramagnetic circulations around the centre of the molecule.
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