A theoretical investigation ofZnZnandBeBeone electron bond

Abstract

AbstractAttachment of one electron to 1,2‐diBeX‐benzene and 1,2‐diZnX‐benzene derivatives leads to the formation of stronger BeBe and ZnZn interaction compared to the neutral one. This is reflected in the dramatic shortening of the BeBe and ZnZn distance. The formation of these 2‐center‐1‐electron bonds have also been confirmed by topological survey of electron density using quantum theory of atoms in molecules and electron localization function. The formation of these bonds is expected to render stability to these radical anions. These radical anions are stable toward electron detachment and computed bond dissociation energy values are also significant.