Icosahedral water clusters

✍ Scribed by I.P. Buffey; W.Byers brown; H.A. Gebbie

• Book ID: 103023593
• Publisher: Elsevier Science
• Year: 1988
• Tongue: English
• Weight: 310 KB
• Volume: 148
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(88)87272-5

✦ Synopsis

Clusters containing 57 and 60 water molecules have been studied theoretically in the search for stable species which might explain the observed millimetre-wave absorption spectra of water vapour not attributable to monomers or small clusters. A rigid hollow cluster (HZ0)60 with the structure of a truncated icosahedron slightly distorted from regularity is calculated to be energetically stable and its theoretical absorption spectrum due to intermolecular vibrations extends into the observed sub-millimetrewavelength region. The more compact ( HZO) I'I cluster consisting of four "fused" dodecahedra is slightly more stable energetically than the "football", but its calculated low-temperature spectrum has no modes below 25 cm-'.