Abstract
Density functional theory calculations and 2D 1H-13C HETCOR solid state NMR spectroscopy prove that CO2 can 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] (X = O or NH). Moreover, [(≡Si-O-)(≡Si-N=)[Zr]H] activates CO2 more efficiently than the other complexes and leads to a carbimato Zr formate.
Original language | English (US) |
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Pages (from-to) | 2577-2580 |
Number of pages | 4 |
Journal | Chem. Commun. |
Volume | 52 |
Issue number | 12 |
DOIs | |
State | Published - 2016 |