Vibrational study of the base form of polyaniline: effect of the 3D character

We present a 3D vibrational study of the base form of polyaniline: the leucoemeraldine base (LB). Raman spectra have been recorded for leucoemeraldine and model compounds: diphenylamine (DPA) and the NN′-diphenyl-1,4-phenylenediamine (B3 in our notation). An assignment of the observed Raman bands is proposed. In the same way, we present vibrational calculations based on valence-force-field of these different compounds. Theses calculations have been made by considering the 3D character of polyaniline, i.e the effect of the ring torsion.