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On Global and Local Properties of Clar Pi-Electron Sextets.
GEORGIA UNIV ATHENS DEPT OF CHEMISTRY
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The individual rings in benzenoid systems are studied via a new structural index, called Clars ring character. The new index which is based on selected Kekule valence structures differs from similar ring characterizations based on all Kekule valence structures significantly in a number of cases. It is related to previously introduced quantities based on molecular orbital functions, but it can be obtained simply i.e., without need for a computer. We have illustrated the new ring index for several families of compounds and report a number of regularities for homologous series of molecules.
APPROVED FOR PUBLIC RELEASE