Login / Signup

Strong Be-Be bonds in double-aromatic bridged Be 2 (μ-SO) molecules.

Forough RezaieS Noorizadeh
Published in: Dalton transactions (Cambridge, England : 2003) (2022)
A bridged Be 2 (μ-SO) molecule is formed by stabilizing the Be 2 dimer using a SO ligand. In this molecule, which is thermodynamically stable, the Be 2 moiety behaves as an efficient electron donor toward the SO fragment. The ionic character of Be 2 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.
Keyphrases