NMR signatures of the active sites in Sn-beta zeolite

Patrick Wolf (1, 2, 3) , Maxence Valla (1) , Aaron J. Rossini (4) , Aleix Comas-Vives (1) , Francisco Nunez-Zarur (1) , Bernard Malaman (5) , Anne Lesage (4) , Lyndon Emsley (4) , Christophe Copéret (1) , Ive Hermans (2, 3)

1 ETH Zürich - Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich]
2 Dept Chem
3 Dept Biol & Chem
4 Solid-State NMR Methods for Materials - Méthodes de RMN à l'état solide pour les matériaux
5 IJL - Institut Jean Lamour

Dynamic nuclear polarization surface enhanced NMR (DNP-SENS), Mossbauer spectroscopy, and computational chemistry were combined to obtain structural information on the active-site speciation in Sn-beta 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).

Mots clés: DYNAMIC NUCLEAR-POLARIZATION; MEERWEIN-PONNDORF-VERLEY; BAEYER-VILLIGER OXIDATIONS; DENSITY-FUNCTIONAL THEORY; LEWIS-ACID CATALYST; MAGIC-ANGLE; GLUCOSE ISOMERIZATION; AROMATIC-ALDEHYDES; WATER-TOLERANT; LACTIC-ACID: active sites; DNP SENS; Mossbauer spectroscopy; solid-state NMR spectroscopy; zeolites

Domaines: Chimie analytique; Chimie inorganique; Science des matériaux [cond-mat.mtrl-sci]

Patrick Wolf, Maxence Valla, Aaron J. Rossini, Aleix Comas-Vives, Francisco Nunez-Zarur, et al.. NMR signatures of the active sites in Sn-beta zeolite. Angewandte Chemie International Edition, 2014, 53 (38), pp.10179-10183. ⟨10.1002/anie.201403905⟩. ⟨hal-01230430⟩