Preferential Location of Ge Atoms in Polymorph C of Beta Zeolite (ITQ‐17) and Their Structure‐Directing Effect: A Computational, XRD, and NMR Spectroscopic Study

Ge-directed zeolites. Forcefield atomic simulations are used to investigate the location of the Ge atoms and the structure-directing agents (SDAs) in the Ge containing ITQ-17 zeolite (see picture). The Ge atoms are found to locate preferentially at the T1 sites which form double four-ring (D4R) units. A combined theoretical and experimental treatment has allowed us to prove the preferential location of Ge atoms in the double four-member rings of the polymorph C of Beta zeolite, and its corresponding structure-directing effect to be demonstrated. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2002/z19356_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.