Mass spectrometric evidence for icosahedral structure in large rare gas clusters: Ar, Kr, Xe

• Published in: The Journal of chemical physics 1989-11, Vol.91 (10), p.5940-5952
• Main Authors: MIEHLE, W, KANDLER, O, LEISNER, T, ECHT, O
• Format: Article
• Language: English
• Subjects: Atomic and molecular clusters; Atomic and molecular physics; Exact sciences and technology; Physics; Studies of special atoms, molecules and their ions; clusters
• ISSN: 0021-9606; 1089-7690
• DOI: 10.1063/1.457464

Clusters of argon, krypton, and xenon are grown in a free jet and ionized by electron impact. The size of these clusters, (Rg)+n, extends up to n≂1000. Individual cluster sizes are mass resolved up to n≂570 in the case of Ar+n. The well known, but puzzling differences in the size distributions of Kr and Xe clusters disappear beyond n≂130, while those between Ar and Xe disappear beyond n≂220. The most pronounced ‘‘magic numbers’’ in the distributions of large cluster ions occur at n=147 (148 for Ar), 309, and 561, in striking agreement with the number of atoms required to build icosahedral clusters with 3, 4, and 5 complete coordination shells, respectively. Closure of the 6th icosahedral coordination shell is indicated by another strong intensity drop at n≂923 in the unresolved part of the spectra. Several additional intensity extrema are observed between major shell closures. A simple structural model, assuming an icosahedral core decorated by the additional atoms, accounts for these anomalies reasonably well up to n=561.