CO2 activation through silylimido and silylamido zirconium hydrides supported on N-donor chelating SBA15 surface ligands†
Abstract
Density functional theory calculations and 2D 1H–13C HETCOR solid state NMR spectroscopy prove that CO2 can be used to probe, by its own reactivity, different types of N-donor surface ligands on SBA15-supported ZrIV hydrides: [(Si–O–)(Si–N)[Zr]H] and [(Si–NH–)(Si–X–)[Zr]H2] (XO or NH). Moreover, [(Si–O–)(Si–N)[Zr]H] activates CO2 more efficiently than the other complexes and leads to the formation of a carbimato Zr formate.