On Global and Local Properties of Clar Pi-Electron Sextets.

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 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.

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Document Details

Document Type
Technical Report
Publication Date
Aug 11, 1987
Accession Number
ADA183899

Entities

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  • Milan Randic
  • Sherif El-basil

Organizations

  • University of Georgia

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  • Energy and Power Technologies

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  • Aromatic Polycyclic Hydrocarbons
  • California
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