Structure and Spectra of Three-Dimensional(H2O)nClusters,n=8,9,10

Abstract

The vibrational OH stretch spectra have been measured for size-selected pure water clusters $({\mathrm{H}}_2\mathrm{O}{)}_n$, in the size range $n=8\mathrm{}–10$. Comparison between experiment and calculations suggests that the spectra originate from a small number of “microcrystalline” structures, based on the cubic octamer. The $n=8\mathrm{}$ 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.