Aluminum siting in silicon-rich zeolite frameworks: A combined high-resolution 27Al NMR spectroscopy and quantum mechanics/molecular mechanics study of ZSM-5

Abstract

(Figure Presented) Finding Al: The distribution of catalytically active sites over crystallographic positions in zeolites is not random but controlled by synthesis. For differently synthesized ZSM-5 samples, distinct 27Al resonances have been identified by NMR spectroscopy. Shift calculations by DFT show that the observed resonances belong to Al in different crystallographic sites (see picture). © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.