The oxidation state in low-valent beryllium and magnesium compounds

Abstract

Low-valent group 2 (E = Be and Mg) stabilized compounds have been long synthetically pursued. Here we discuss the electronic structure of a series of Lewis base-stabilized Be and Mg compounds. Despite the accepted zero(0) oxidation state nature of the group 2 elements of some recent experimentally accomplished species, the analysis of multireference wavefunctions provides compelling evidence for a strong diradical character with an oxidation state of +2. Thus, we elaborate on the distinction between a description as a donor-acceptor interaction L(0) ⇆ E(0) ⇄ L(0) and the internally oxidized situation, better interpreted as a diradical L(−1) → E(+2) ← L(−1) species. The experimentally accomplished examples rely on the strengthened bonds by increasing the π-acidity of the ligand; avoiding this interaction could lead to an unprecedented low-oxidation state