Vibrational analysis of polarons and bipolarons in p-doped poly(p-phenylene vinylene) (PPV) — model compounds approach

We present results of calculation of the electronic structure of localized charged excitations induced on the PPV backbone by p-type doping. Dynamical calculations are performed on the basis of model compounds or oligomers. The model compounds approach has allowed to calculate the geometrical distortions of polaronic and bipolaronic segments. The structures obtained are discussed as compared to those presented in other works for n-doped PPV. Results that we present would indicate the absence of electron - hole symmetry in this polymer.