Theoretical and experimental vibrational study of polyaniline in base forms: non-planar analysis. Part I

Abstract

Experimental and theoretical studies of basic forms of polyaniline are presented. Experimental spectra of emeraldine, leucoemeraldine and pernigraniline and their oligomer model compounds (diphenylamine, phenyl-end-capped dimer, phenyl-end-capped tetramer, phenyl-end-capped hexamer, imine form of phenyl-end-capped dimer, pernigraniline base phenyl-end-capped tetramer and emeraldine base phenyl-end-capped tetramer) were recorded in N-methyl-2-pyrrolidone solution and in the solid state. The calculations were performed using the valence force field model. A non-planar geometry of the polymers studied was taken into consideration and particular phenylene ring torsions rendering the system non-planar were analyzed. The assignments of the observed modes was made possible by comparison of the calculated and experimentally measured wavenumbers. Copyright © 2000 John Wiley & Sons, Ltd.