Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation

Details Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation

2003-05-23

arxiv.org/abs/cond-mat/0305553v1

Physics

Condensed Matter

Materials Science

Scientific paper

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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