Conformation and packing of poly(alkylene phosphate) chains in the crystallattice. Part I: Molecular modelling and wide-angle X-ray scattering

Molecular modelling of the poly(alkylene phosphates) suggests a structure i n which the repeat distances appear to be in agreement with those indicated by wide angle X-ray diffraction studies of the semi-crystalline polymer. T he extended zig-zag chains lie in a parallel array in stacks of pleated she ets. There are lines of phosphoryl groups, linked by hydrogen bonding, runn ing in one direction through the structure which appear to be suitable for the selective transport of ions. (C) 1998 Elsevier Science B.V. All rights reserved.