One-electron Be–Be π bond

Abstract

Metal–metal bonding has attracted attention from chemists for a long time. One such intriguing example is the beryllium–beryllium bond. Herein, ab initio quantum chemical calculations reveal the formation of a one-electron π bond in the diatomic Be₂⁻ anion. The anion is stable towards spontaneous electron detachment. Although diatomic Be monocations and dications are well studied, the present study explores the first instance of the diatomic Be₂ monoanion.