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Issue 2, 1999
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Giant benzenoid hydrocarbons. Superphenalene resonance energy

Abstract

We have calculated the molecular resonance energy for "‘superphenalene,’' a recently reported giant benzenoid that can be viewed as obtained from three fused "‘superbenzenes’' (hexa-peri-hexabenzocoronenes). Using the method of conjugated circuits we derived quantitative characterization of Clar's qualitative description of the considered benzenoids as composed from disjoint "‘π-sextets.'' The calculations show the degree of differentiation between neighboring rings, which decreases as we progressively move towards the center of the molecule.

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Article type: Paper
DOI: 10.1039/A808949C
Citation: New J. Chem., 1999,23, 251-260
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    Giant benzenoid hydrocarbons. Superphenalene resonance energy

    M. Randić and X. Guo, New J. Chem., 1999, 23, 251
    DOI: 10.1039/A808949C

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