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Structural analysis of minimized models for syndiotactic polypropylene

โœ Scribed by Andrew J. Lovinger; Bernard Lotz


Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
507 KB
Volume
35
Category
Article
ISSN
0887-6266

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โœฆ Synopsis


In previous work we have shown that the stable form of syndiotactic polypropylene (sPP) adopts a fully antichiral packing in its crystalline lattice. At the same time, we had also discovered a number of prohibited reflections from crystallographic planes with a c-axis component, indicating distortions or defects along the molecularchain direction and possible departures from the ideal Ibca unit-cell structure. Three studies that appeared in 1996 have proposed a number of possible minimized structures to explore the energetics of departure from such an ideal Ibca symmetry and to account for the prohibited reflections. Two of the studies were based upon energy minimization of the unit cell using empirical or spectroscopically derived force fields. The third model was based upon Rietveld refinement of the bulk X-ray diffractogram combined with ad hoc choices of space groups selected to reproduce the prohibited reflections, and results in a structure with minimal departures from Ibca. In the present article we examine the structural implications of all these models on various reciprocal-lattice sections of sPP by comparing calculated electron-diffraction patterns for appropriate zones with those we obtained experimentally from single crystals. We find that none of the proposed models fully accounts for the experimental data. One of the energy-minimized models (involving translation along the molecular axis) and the Rietveld-refined structure reproduce some of the observed reflections but are not in agreement with observed intensities and introduce additional unobserved reflections or other artifacts. แญง 1997


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Conformational analysis of the polymorph
โœ Beniamino Pirozzi; Roberto Napolitano ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 361 KB

Abstraet~Conformational energy calculations have been performed on two crystalline polymorphic forms of syndiotactic polypropylene. A chain conformation having the helicoidal s(2/1)2 symmetry has been obtained for the form of the polymer having chain axis c = 7.40 A.. A chain conformation having the