Investigations of the behavior of guest molecules in zeolites

COLL 53

Edward A. Havenga, Jianrong Ma, Nick Trefiak, Chris Granger, Tom K. Woo, and Yining Huang. Department of Chemistry, The University of Western Ontario, London, ON N6A 5B7, Canada
Zeolite molecular sieves are important materials, widely used as sorbents, ion-exchangers and catalysts. They are framework aluminosilicates containing pores, channels and cavities with molecular dimensions. Because all the applications of zeolites involve incorporating sorbate molecules into their frameworks, understanding the adsorptive properties of zeolites is important. The present work studies two fundamental aspects of host-guest interactions in zeolitic systems by using FT-Raman spectroscopy in combination with molecular modeling. (1) Sorbate-framework interactions: It has been shown that FT-Raman spectroscopy is a sensitive technique for examining the sorbate-framework interactions in single-component adsorption. In this work, we extend the study to include the co-adsorption of p-xylene/toluene in zeolite ZSM-5. In particular, we have explored sorbate-framework and sorbate-sorbate interactions as well as the locations of different sorbates. (2) Conformation of sorbates: One of the factors affecting the efficiency of zeolites for the separation of organic molecules is the existence of different conformers. In the second part of the presentation, the effect of different pore topology and chemical composition of zeolites on conformational behavior of guest spices will be discussed.