Snapshots of the AlAl σ‐Bond Formation Starting from {AlR₂} Units: Experimental and Computational Observations

Abstract

The approach of two atoms with an unpaired electron each results in the formation of a σ bond. Snapshots of the primary step with a large atom-to-atom distance and a parallel spin of both electrons and of the final product, consisting of a butterfly structure with a short AlAl σ bond, have been identified for a [R2PAl(PR2)AlPR2] compound using quantum chemical calculations and X-ray crystallography (see scheme).