Structure, stability and reactivity of inverse sandwich complexes M‐Be3‐M and M‐Zn3‐M (M = Li, Na, K, Cu, Ag, Au)

Abstract

AbstractQuantum chemical calculations have b‐een carried out on the inverse sandwich type complexes formed between coinage and alkali metals with Be3 and Zn3 rings. Calculations reveal that the complexes are stable toward dissociation. Their Lewis acidic character has been evaluated using fluoride ion affinity (FIA) calculation, which reveals their strong acidic character. Topological analysis of electron density has also been performed to investigate the nature of the bond between the metal and the fluoride ion. Calculations reveal non covalent nature in case of alkali series and covalent nature in case of coinage metal series.