New examples of metalloaromatic Al-clusters: (Al4M4)Fe(CO)3 (M = Li, Na and K) and (Al4M4)2Ni: rationalization for possible synthesis

Abstract

Ab initio calculations reveal that all-metal antiaromatic molecules like Al₄M₄ (M = Li, Na and K) can be stabilized in half sandwich (Al₄M₄)Fe(CO)₃ and full sandwich (Al₄M₄)₂Ni complexes. The formation of the full sandwich complex [(Al₄M₄)₂Ni] from its organometallic precursor depends on the stability of the organic–inorganic hybrid (C₄H₄)Ni(Al₄Li₄).