Aluminum Siting in Silicon‐Rich Zeolite Frameworks: A Combined High‐Resolution ²⁷Al NMR Spectroscopy and Quantum Mechanics / Molecular Mechanics Study of ZSM‐5

Abstract

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). Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2007/z702628_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.