An unexpected transamination of bis[bis(trimethylsilyl)amido]zinc with dibenzylamine to form bis( dibenzylamido)zinc: structural studies by NMR spectroscopy, X-ray crystallography and theoretical calculations

The transamination of bis[bis( trimethylsilyl)amido]zinc with two molar equivalents of dibenzylamine in benzene solution yields the dimeric, homoleptic, zinc bis( amide) [{(PhCH2)(2)N}(2)Zn](2).C6H6 1. Characterisation of compound 1 has been performed by single-crystal X-ray diffraction, H-1/C-13 NMR spectroscopy, IR spectroscopy, melting point and elemental analysis. Variable concentration H-1 NMR spectroscopic studies have shown a dynamic monomer-dimer equilibrium in arene solution. Compound 1 is compared to the previously reported, isostructural magnesium analogue and other known zinc bis(amide) compounds. Theoretical calculations have been carried out at both SCF and DFT levels to probe the energetics involved in the transamination process.