Croatica Chemica Acta, Vol. 68 No. 1, 1995.
Original scientific paper
Edge Effets in Very Large Benezenoid Polymers
Tomislav P. Živković
; Institute »Rugjer Bošković«, Zagreb, Croatia
Abstract
Large benzenoid polymers containing monomer units which are mutually connected by two cc bonds are considered. These molecules are treated within the simplified BORT or, equivalently, within a simplified VB approach. A general method for the evaluation of resonance energies and local aromaticity properties, such as contribution of various six- and 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.
Keywords
Hrčak ID:
176555
URI
Publication date:
1.2.1995.
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