Structural properties of emeraldine base and the role of water contents: X-ray diffraction and computer modelling study

The series of the polyaniline samples in the emeraldine base form was synthesised in various conditions and then it has been subjected to the experimental X-ray diffraction measurements and computer modelling study. Additionally, the elemental analysis technique was also used. The reasonable models of the crystalline structure of various types of the polymer systems (known as EB-1 and EB-2) are proposed, The presence of the water molecules in the crystalline regions of polyaniline is discussed, and the significant role of these molecules for the structural properties of the emeraldine base samples is explained. (C) 2002 Elsevier Science B.V. All rights reserved.