✍ Scribed by Milan Randić
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We consider resonance in cata-condensed benzenoids having six and seven fused benzene rings. The resonance relationship between the Kekule valence structures of the molecules is represented by the resonance graphs in which the vertices represent the Kekule valence structures, and the edges, the presence of the quantum Ž chemical resonance integral involving permutation of three CC double bonds within a . single six-membered ring . The construction of the resonance graphs for large benzenoids is outlined and the properties of the derived resonance graphs are discussed. It is shown that the leading eigenvalue of the resonance graphs correlates with the resonance energy of benzenoids.
📜 SIMILAR VOLUMES
A method is presented for counting the number of resonance structures for large benzenoid polynuclear hydrocarbons. Structure counts for even systems are made and compared with those of the odd systems resulting from the removal of one of the K centers from various points in the even structure. A co
We calculated the molecular resonance energy for a recently synthesized giant benzenoid hydrocarbon C H having 27 fused benzene rings. Using the method 78 26 Ž . of conjugated circuits, we derived the expression for the molecular resonance energy RE in terms of contributing conjugated circuits of s