Crystal and molecular simulation of high-performance polymers.
Single-crystal X-ray analyses of oligomeric models for high-performance aromatic polymers, interfaced to computer-based molecular modeling and diffraction simulation, have enabled the determination of a range of previously unknown polymer crystal structures from X-ray powder data. Materials which have been successfully analyzed using this approach include aromatic polyesters, polyetherketones, polythioetherketones, polyphenylenes, and polycarboranes. Pure macrocyclic homologues of noncrystalline polyethersulfones afford high-quality single crystals-even at very large ring sizes-and have provided the first examples of a "protein crystallographic" approach to the structures of conventionally amorphous synthetic polymers.
Colquhoun
H M
HM
Department of Chemistry, University of Salford, Salford M5 4WT, U.K.
Williams
D J
DJ
D018360:Crystallography, X-Ray; D008956:Models, Chemical; D015394:Molecular Structure; D011108:Polymers / Q000737:chemistry*
D011108:Polymers