Ring Currents and Their Effects in Aromatic Molecules

The form of the localized orbitals needed to describe the properties of an aromatic molecule in the presence of a magnetic field is discussed using the standard excited state. The ring currents induced by an external field give rise to contributions to the diamagnetic anisotropy and to the shielding...

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Veröffentlicht in:Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences Mathematical and physical sciences, 1962-07, Vol.268 (1334), p.328-338
Hauptverfasser: Hall, G. G., Hardisson, A.
Format: Artikel
Sprache:eng
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Zusammenfassung:The form of the localized orbitals needed to describe the properties of an aromatic molecule in the presence of a magnetic field is discussed using the standard excited state. The ring currents induced by an external field give rise to contributions to the diamagnetic anisotropy and to the shielding of the nuclear dipole of an attached proton. Both of these effects are calculated on the basis of the self-consistent form of molecular orbital theory. For this purpose the perturbation equations are solved iteratively and results are given for some hydrocarbon molecules.
ISSN:1364-5021
0080-4630
1471-2946
2053-9169
DOI:10.1098/rspa.1962.0144