Structure and spectra of three-dimensional (H2O)n clusters, n = 8, 9, 10

The vibrational OH stretch spectra have been measured for size-selected pure water clusters (H2O)(n), in the size range n = 8-10. Comparison between experimental and calculations suggests that the spectra originate from a small number of "microcrystalline" structures, based on the cubic octamer. The n = 8 spectra are caused by two isomers of D-2d and S-4 symmetry. The proposed lowest energy nonamer and decamer structures are derived from the octamer by insertion of one and two two-coordinated molecules, respectively, into the cube edges.