NMR signatures of the active sites in Sn-β zeolite

Patrick Wolf; Maxence Valla; Aaron J Rossini; Aleix Comas-Vives; Francisco Núñez-Zarur; Bernard Malaman; Anne Lesage; Lyndon Emsley; Christophe Copéret; Ive Hermans

doi:10.1002/anie.201403905

NMR signatures of the active sites in Sn-β zeolite

Angew Chem Int Ed Engl. 2014 Sep 15;53(38):10179-83. doi: 10.1002/anie.201403905. Epub 2014 Jul 30.

Authors

Patrick Wolf¹, Maxence Valla, Aaron J Rossini, Aleix Comas-Vives, Francisco Núñez-Zarur, Bernard Malaman, Anne Lesage, Lyndon Emsley, Christophe Copéret, Ive Hermans

Affiliation

¹ Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir Prelog Weg 2, 8093 Zurich (Switzerland); Department of Chemistry & Department of Chemical and Biological Engineering, University of Wisconsin - Madison, 1101 University Avenue, Madison, WI 53706 (USA).

PMID: 25079352
DOI: 10.1002/anie.201403905

Abstract

Dynamic nuclear polarization surface enhanced NMR (DNP-SENS), Mössbauer spectroscopy, and computational chemistry were combined to obtain structural information on the active-site speciation in Sn-β zeolite. This approach unambiguously shows the presence of framework Sn(IV)-active sites in an octahedral environment, which probably correspond to so-called open and closed sites, respectively (namely, tin bound to three or four siloxy groups of the zeolite framework).

Keywords: DNP SENS; Mössbauer spectroscopy; active sites; solid-state NMR spectroscopy; zeolites.