Analysis of the regular conformations of the macromolecules of syndiotactic vinyl polymers with aromatic pendants

Abstract

An additive scheme of atom-atom potentials is used in an analysis of regular conformations of the syndiotactic chains of poly-2-vinylpyridine, poly-4-vinylpyridine and polystyrene. The molecular helix parameters were calculated, as well as the orientation of aromatic pendants and CH 2 groups relative to the helix axes. It is shown that packing effects govern selection of the regular conformations of syndiotactic chains of the above polymers in the crystalline state. It is possible to predict the dichroism of the bands associated with the main types of normal vibrations of atoms of the side groups and methylene groups in the IR spectra of the polymers with axial orientation of the latter.