✦ LIBER ✦

An application of the close-packing principle to the crystal structure of isotactic polyacetaldehyde

✍ Scribed by P. Corradini; G. Avitabile

Publisher: Elsevier Science
Year: 1968
Tongue: English
Weight: 394 KB
Volume: 4
Category: Article
ISSN: 0014-3057
DOI: 10.1016/0014-3057(68)90027-x

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✦ Synopsis

Starting from the knowledge of the conformation of the chain of isotactic polyacetaldehyde and assuming that the crystallographic unit is coincident with the monomeric unit, the crystal structure of the polymer has been calculated. The method involved selection of all the space groups compatible with the symmetry of the chain and, for each ,of them, minimization of the lattice energy by variation of all the parameters characterizing the structure. The lattice energy has been calculated by three different potential functions between non-bonded atoms. In every case the minimum of energy coincided satisfactorily with the experimental structure. The choice of Van der Waals radii is briefly discussed.

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