A Computational Study on the Templating Ability of the Trispyrrolidinium Cation in the Synthesis of ZSM-18 Zeolite

The role of trispyrrolidinium cation as the structure-directing agent of the ZSM-18 zeolite structure is explained by a close matching between the template and the zeolite walls. Two template orientations are proposed, and their respective structure-directing abilities are discussed in terms of temp...

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Veröffentlicht in:	Chemistry of materials 2001-12, Vol.13 (12), p.4520-4526
Hauptverfasser:	Sabater, Maria J, Sastre, German
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY Exact sciences and technology General and physical chemistry INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY Ion-exchange PYRROLES Surface physical chemistry SYNTHESIS X-RAY DIFFRACTION ZEOLITES Zeolites: preparations and properties
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Beschreibung
Zusammenfassung:	The role of trispyrrolidinium cation as the structure-directing agent of the ZSM-18 zeolite structure is explained by a close matching between the template and the zeolite walls. Two template orientations are proposed, and their respective structure-directing abilities are discussed in terms of template−zeolite energetic interactions. The relation of the template orientation and the Al distribution of the ZSM-18 structure is explained, and the preferential substitution of Al in the three-membered rings of ZSM-18 is explained from the results of the calculations, in accordance with the XRD solution of the structure.
ISSN:	0897-4756 1520-5002
DOI:	10.1021/cm0110526