Energy calcns. for cryst. syndiotactic PVC [25037-47-2] in a head-to-tail syndiotactic conformation indicated that tight (010) and (400) folds and, hence, adjacent reentry may occur. The folds are probably stabilized by a weak H-bond type of interaction. The crystal lattice energy min., calcd. as a function of the PVC unit cell parameters a and b, corresponds to a noticeable decrease of a in comparison with the exptl. value, although the potentials used in the calcns. are hard and have van der Waals radii greater than those usually accepted. Therefore, the folds strongly influence the PVC crystal packing and do not allow better interat. contacts between stems to form.
Chain folding in crystalline syndiotactic poly(vinyl chloride) / G., Conte; D'Ilario, Lucio; Pavel, Nicolae Viorel; Giglio, Edoardo. - In: JOURNAL OF POLYMER SCIENCE. POLYMER PHYSICS EDITION. - ISSN 0098-1273. - STAMPA. - 17:5(1979), pp. 753-762. [10.1002/pol.1979.180170503]
Chain folding in crystalline syndiotactic poly(vinyl chloride)
D'ILARIO, LUCIO;PAVEL, Nicolae Viorel;GIGLIO, Edoardo
1979
Abstract
Energy calcns. for cryst. syndiotactic PVC [25037-47-2] in a head-to-tail syndiotactic conformation indicated that tight (010) and (400) folds and, hence, adjacent reentry may occur. The folds are probably stabilized by a weak H-bond type of interaction. The crystal lattice energy min., calcd. as a function of the PVC unit cell parameters a and b, corresponds to a noticeable decrease of a in comparison with the exptl. value, although the potentials used in the calcns. are hard and have van der Waals radii greater than those usually accepted. Therefore, the folds strongly influence the PVC crystal packing and do not allow better interat. contacts between stems to form.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
