Synthetic and Structural Investigation on Conductive Polyacetylene

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After the finding of metallic conductivity of doped polyacetylene, the mechanism of electrical conductivity induced by doping is still unknown. Invention of improved synthetic method motivated us to study a molecular structural model for metallic polyacetylene.Reflection spectra of doped polyacetylene have been studied to find elementary excitation of charged species produced by doping.We studied the change of Ultraviolet photoemission spectra by the perchlorate and potassium doping.We studied molecular structures of the model compounds of doped polyacetylene, polaron, charged soliton and polson by the ab initio SCF MO method. The one dimensional energy band structure s of the charged soliton-antisoliton and the polson-antipolson lattices are investigated by Pariser-Parr-Popple method. The calculated results are consistent with the electrical, optical and ultraviolet photoemission spectra of the doped polyacetylene.