Abstract
The metallic state of doped polyacetylene is studied from a structural chemical point of view by finding the optimized structure of the doped complex with the ab initio SCF MO calculation. The polson structure for the unit of metalic state is supported by comparing the calculated vibrational frequencies of the polson unit, C 13H 15Na 2, with the Raman spectra of heavily alkali metal doped polyacetylene. The coordination and the crystal structures are investigated on the potassium and iodine doped polyacetylene with the polson model.
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