5 years ago

Directing Aluminum Atoms into Energetically Favorable Tetrahedral Sites in Zeolite Framework by Organic Structure-Directing Agents

Tatsuya Okubo, Takeshi Yoshikawa, Watcharop Chaikittisilp, Koki Muraoka, Yutaka Yanaba
The Al location in zeolites can have massive influences on the zeolite properties because it directly correlates with cationic active sites. Here, the synthesis of IFR zeolites with controlled Al distribution at different tetrahedral sites (T sites) is reported. The computational calculations suggest that organic structure-directing agents (OSDAs) used for zeolite synthesis can alter the energetically favorable T sites for Al. Zeolite products synthesized under an identical condition but with different OSDAs are found to have altered fractions of Al at different T sites in accordance with the energies derived from the zeolite-OSDA complexes. Our finding thus provides evidence for the ability of OSDAs to direct Al into more energetically favorable T sites, thereby offering rationally synthetic guidelines for the selective placement of Al into specific crystallographic sites.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/anie.201713308

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