Dynamics of Some Lattice Models of Polywater

This is the authors' abstract. We don't add key points for this paper.

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 D6h (hexagonal) symmetry. An additional structure having D3d (trigonal) symmetry has also been considered in which the oxygen atoms form a puckered lattice structure having a repeating unit similar to the D6h structure. We have calculated the normal modes for both the D6h and D3d 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 D6h and D3d models are consistent with type of hydrogen bonding known for the FHF− (bifluoride) ion.