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Mndo study of bond orders in some conjugated BI- and tri-cyclic hydrocarbons
Authors:Christopher Glidewell  Douglas Lloyd
Affiliation:Department of Chemistry, Purdie Building, University of St. Andrews, St. Andrews, Fife KY16 9ST U.K.
Abstract:MNDO calculations have been carried out on a number of conjugated bicyclic and tricyclic hydrocarbons. For reference purposes some acenes and monocyclic non-benzenoid hydrocarbons are also mentioned. While the influence of 2 or 6 π-electron systems in stabilising, and of 4 π-electron systems in destabilising, structures is readily evident, it is clear that arrays of 10 or more π-electrons have markedly less effect, and the balance between fixation of bonds and delocalisation in many compounds possessing such systems is subtle.
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