Edge Effets in Very Large Benezenoid Polymers
نویسندگان
چکیده
Large benzenoid polymers containing monomer units which are m~tually connected by two ce bonds are considered. These molecules are treated with in the simplified BORT or, equivalently, within a simplified VB approach. Ageneral method for the evaluation of resonance energies and local aromaticity properties, such as contribution of various sixand ten-cycles to the total resonance energy, is described. As an illustration, the tetrabenzanthracene polymer family is considered. Exact expressions for local and global properties of infinite tetrabenzanthracene polymers, as well as highly accurate approximate expressions for finite tetrabenzanthracene polymers, are derived.
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