Abstract
The individual rings in benzenoid systems are studied via a new structural index, called Clar's ring character. The new index, which is based onselected Kekulé valence structures, differs significantly in a number of cases from similar ring characterizations based onall Kekulé valence structures. It is related to previously introduced quantities based on MO functions, but it can be obtained simply (i.e. without the need of a computer). We have illustrated the new ring index for several families of compounds, and report a number of regularities for a homologous series of molecules.
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Operated by Iowa State University for the U.S. Department of Energy under Contract No. W-7405-Eng 82. This work was supported by the Office of the Director.
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El-Basil, S., Randić, M. On global and local properties of clar Pi-Electron sextets. J Math Chem 1, 281–307 (1987). https://doi.org/10.1007/BF01179795
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DOI: https://doi.org/10.1007/BF01179795