Accession Number:

ADA180037

Title:

The Hueckel Model for Small Metal Clusters. 3. Anion Structures and HMO (Hueckel Molecular Orbital) Electron Affinities.

Descriptive Note:

Technical rept.,

Corporate Author:

STATE UNIV OF NEW YORK AT BUFFALO DEPT OF CHEMISTRY

Report Date:

1987-04-01

Pagination or Media Count:

30.0

Abstract:

The most stable structures for the alkali-like clusters M3-Mg- are calculated within the framework of the simple Huckel model. The Huckel 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 Huckel model gives electron affinities which compare favorably with the experimental results for Cu2-Cug. To our knowledge, the Huckel results in this paper represent the first systematic search for the stable structures of small alkali-like anion clusters. Keywords Alkali, Metal clusters, Anions, Huckel model, Magnesium, Electron affinities, Experiments, Copper, Clusters.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy
  • Physical Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE