Abstract
Model calculations for mixed polydiacetylene (PDA)–polyacetylene (PA) chains are generalized to the inclusion of mobile-soliton-like bond alternation defects. The properties of the midegap state of the solitary defect as well as the influence of the radical electron properties on localized states (‘‘quantum well states’’) of the chain are investigated on the basis of a Hückel band structure calculation. It turns out that the quantum well character of the chain strongly depends on the position of the bond alternation defect, e.g., whether it is located on the PA or PDA part of the chain.
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