title: 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 Zr(IV) hydrides: [≡(Si-O-)(≡Si-N=)[Zr]H] and [≡(Si-NH-)(≡Si-X-)[Zr]H2] (X=O 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.
authors.affiliation: King Abdullah University of Science and Technology (KAUST), KAUST Catalysis Center (KCC), Thuwal, 23955-6900, Saudi Arabia. jeanmarie.basset@kaust.edu.sa.
authors.forename: Farhan Ahmad
authors.initials: FA
authors.lastname: Pasha
authors.forename: Anissa
authors.initials: A
authors.lastname: Bendjeriou-Sedjerari
authors.forename: Edy
authors.initials: E
authors.lastname: Abou-Hamad
authors.forename: Kuo-Wei
authors.initials: KW
authors.lastname: Huang
authors.forename: Jean-Marie
authors.initials: JM
authors.lastname: Basset