Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation
arXiv:cond-mat/0305553 · doi:10.1021/jp0370122
Abstract
We propose a theoretical investigation in this paper to understand the bonding and structural properties of neutral Al4Na4 and anion Al4Na3- clusters. We show that the Al4 species in Al4Na4 and Al4Na3- clusters is a rectangular planar structure with alternate pi-bonds and hence satisfying the basic criteria for anti-aromaticity. We prove that the Al4Na4 and Al4Na3- clusters are metallo-anti-aromatic compounds.
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