The Electronic Structure and Bond Lengths of Coronene and Pyrene
- 1 April 1948
- journal article
- Published by IOP Publishing in Proceedings of the Physical Society
- Vol. 60 (4), 309-315
- https://doi.org/10.1088/0959-5309/60/4/301
Abstract
Molecular orbital and valence-bond pairing treatments are given for the bond lengths of coronene and pyrene. In both cases the agreement of the molecular orbital treatment with the experimental values is good, and in both cases it is rather better than the agreement of the valence-bond method, though certain characteristic features are common to both treatments and are found experimentally. The Fries rule, which governs the relative importance of the various Kekulé structures in valence-bond theory, is shown to be only partially applicable. A more valid rule is suggested for condensed hydrocarbons generally.Keywords
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