Polyaniline protonated with camphorsulfonic acid: modelling of its crystalline structure

Polyaniline (PANI) (in the form of emeraldine) protonated with (±) camphorsulfonic acid (CSA) was subjected to computer modelling of its crystalline structure. Diffraction patterns were calculated for some modelled structures with the aim of obtaining the best agreement with observed X-ray diffraction patterns (recorded on films cast from m-cresol solutions) and with measured density. The model structures consist of layers of parallel PANI chains intercalated by CSA molecules, that do not contain m-cresol. Two particular models are presented and their features are discussed.