A perimeter model for the magnetic properties of some non-benzenoid aromatic hydrocarbons
- 1 November 1962
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 5 (6) , 621-627
- https://doi.org/10.1080/00268976200100711
Abstract
Pullman applied London's method of calculating diamagnetic susceptibilities to some cata-condensed aromatic hydrocarbons with 4v carbon atoms. He found that the magnetic properties of these compounds should be quite different from the magnetic properties of cata-condensed aromatic hydrocarbons with (4v + 2) carbon atoms. The existing experimental data seem to confirm these predictions, at least qualitatively. Pauling's ring current model is of very limited use, when applied to 4v-systems. A simplified LCAO-MO treatment outlined here enables one to understand these results more readily. A cyclic chain of 4v sp2-hybridized carbon atoms is first subjected to a homogeneous magnetic field perpendicular to the molecular plane. Appropriate cross-links are then ‘formed’ and treated as a perturbation. A formula is given from which the diamagnetic anisotropy is easily estimated.Keywords
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