ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The most stable structures for the alkali-like clusters M−3–M−8 are calculated within the framework of the simple Hückel model. The Hückel geometries are, on average, slightly "less compact'' than those of the neutral and cation clusters, a phenomenon which may be related to the additional electronic kinetic energy of the anions. Cluster compactness is quantified by an estimation of "soft sphere'' volumes, which also allows for a comparison of classical and experimental polarizabilities. The Hückel model gives electron affinities which compare favorably with the experimental results for Cu2–Cu8. To our knowledge, the Hückel results in this paper represent the first systematic search for the stable structures of small alkali-like anion clusters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453233
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