Dynamics of Some Lattice Models of Polywater

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Abstract
Recent spectroscopic evidence suggests that the structure for a new material termed “polywater” is a layer network consisting of infinitely repeating (in two directions) unit cells. This planar network has D 6h (hexagonal) symmetry. An additional structure having D 3d (trigonal) symmetry has also been considered in which the oxygen atoms form a puckered lattice structure having a repeating unit similar to the D 6h structure. We have calculated the normal modes for both the D 6h and D 3d structures using a simple modified valence force field and were able to obtain excellent agreement with the existing infrared and Raman data. The force constants obtained from both the D 6h and D 3d models are consistent with type of hydrogen bonding known for the FHF− (bifluoride) ion.

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