Multinuclear beryllium amide and imide complexes: structure, properties and bonding

Abstract

The beryllium amide and imide complexes [Be(HNMes)₂]₃, [(py)₂Be(HNMes)₂], [Be(HNDipp)₂]₂, [Be(NPh₂)(μ₂-HNDipp)]₂ and [Be(NCPh₂)₂]₃ have been prepared and characterised with NMR and IR spectroscopy as well as single crystal X-ray diffraction. Analysis of the localised molecular orbitals (LMOs) and intrinsic atomic orbital (IAO) atomic charges in the framework of the intrinsic bond orbital (IBO) localization method revealed a covalent bonding network consisting of 2-electron–2-centre and 2-electron–3-centre σ bonds, in which one electron pair of the anionic N-donor ligands is involved. The electron deficiency at the beryllium atoms is partially compensated through additional electron donation from the lone pair at the nitrogen atoms.