Lattice dynamics and vibrational spectra of pristine and doped polyconjugated polyfuran

The interpretation of the infrared and Raman spectra of polyconjugated polyfuran prepared by electroreduction of 2,5-dibromofuran is presented as the result of lattice dynamical calculations. Geometries and vibrational force fields are derived from semiempirical calculations carried out on oligomers and the parameters are used for the polymer. Finally, it is shown that the infrared and Raman spectra of polyfuran pristine and doped are accounted for by effective conjugation coordinate theory, thus showing that this material also constitutes a polyconjugated material.