Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation
Sharan Shetty, Dilip. G. Kanhere, Sourav Pal
TL;DR
This paper provides a theoretical analysis of Al4Na4 and Al4Na3- clusters, revealing their anti-aromaticity and unique bonding structures, which advances understanding of metallo-anti-aromatic compounds.
Contribution
It is the first to identify Al4Na4 and Al4Na3- as metallo-anti-aromatic compounds with specific planar structures and pi-bonding characteristics.
Findings
Al4Na4 and Al4Na3- have rectangular planar structures
These clusters exhibit alternate pi-bonding, satisfying anti-aromaticity criteria
Confirmed as metallo-anti-aromatic compounds
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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