Journal of Physical Chemistry A, Vol.108, No.4, 628-631, 2004
Metallo-antiaromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation
Present theoretical investigation reveals that the Al-4 unit in neutral Al4Na4 and anion Al4Na3- clusters has 4n pi electrons and has a rectangular structure with alternate pi bonds. Hence, neutral Al4Na4 and anion Al4Na3- clusters satisfy the criteria for antiaromaticity and are metallo-antiaromatic compounds.