Strong Be–Be bonds in double-aromatic bridged Be2(μ-SO) molecules

Abstract

A bridged Be₂(μ-SO) molecule is formed by stabilizing the Be₂ dimer using a SO ligand. In this molecule, which is thermodynamically stable, the Be₂ moiety behaves as an efficient electron donor toward the SO fragment. The ionic character of Be₂^δ+ and SO^δ− in this molecule is confirmed by NBO analysis. Energy decomposition analysis shows that the strongest attractive interactions in this molecule are the polarization and exchange interactions. Also, Adaptive Natural Density Partitioning (AdNDP) analysis indicates the stability of this molecule, which could be due to the double-aromatic character of this system. Therefore, it seems that the title molecule could be experimentally detected.