Accession Number : ADA183899

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

Descriptive Note : Technical rept.,

Corporate Author : GEORGIA UNIV ATHENS DEPT OF CHEMISTRY

Personal Author(s) : El-Basil,Sherif ; Randic,Milan

PDF Url : ADA183899

Report Date : 11 Aug 1987

Pagination or Media Count : 49

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.

Descriptors :   *MOLECULAR ORBITALS, *BENZENE COMPOUNDS, INDEXES, STRUCTURAL PROPERTIES, RINGS, STRUCTURES, VALENCE, MOLECULES, GRAPHS, AROMATIC COMPOUNDS

Subject Categories : Organic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE