P. Corradini et al., CONFORMATIONAL AND PACKING ENERGY OF THE CRYSTALLINE ALPHA-MODIFICATION OF SYNDIOTACTIC POLYSTYRENE, European Polymer Journal, 30(10), 1994, pp. 1173-1177
Conformational and packing energy calculations have been performed on
the alpha modification of syndiotactic polystyrene. The conformational
energy has been optimized as a function of the internal parameters of
the chain. The packing energy has been calculated considering at firs
t the best packing of chains in triplets and then the best packing of
triplets in the space groups R3BAR and P3BAR. The comparison of the re
sults of the energy calculations with the X-ray experimental data corr
oborates a rhombohedral mode of packing of the triplets, corresponding
to the space group R3BAR.