Conformational and packing energy calculations on crystalline isotactic 1,2-poly(1,3-butadiene), polystyrene and poly(methylvinyl ether). Comparison with modification 1 of poly(1-butene)

Abstract

Conformational and packing energy calculations have been performed on isotactic 1,2-poly(1,3-butadiene), polystyrene and poly(methylvinyl ether); the results have been compared with those obtained from analogous calculations on the modification 1 of isotactic poly-1-butene. Conformational calculations show analogies and differences that can be explained on the basis of different steric hindrances provided by the lateral groups. The packing energy calculations for the space groups R3c, R 3 and R 3c show good agreement with the experimental data.