Journal
MOLECULES
Volume 26, Issue 2, Pages -Publisher
MDPI
DOI: 10.3390/molecules26020342
Keywords
zeolite; faujasite; ion exchange; cationic sites; lattice dynamics calculations; FTIR spectroscopy; Raman spectroscopy
Funding
- PL-Grid Infrastructure
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This study assessed the effects of ion exchange on the vibrational spectra of Zeolite Y, with computed spectra in agreement with experimental data.
Zeolite Y is one of the earliest known and most widely used synthetic zeolites. Many experimental investigations verify the valuable ion exchange capability of this zeolite. In this study, we assessed the effects of ion exchange on its vibrational spectra. We applied classical lattice dynamics methods for IR and Raman intensity calculations. Computed spectra of optimized zeolite Y structures with different cations were compared with experimental data. The spectra obtained in this study are in agreement with previous experimental and computational studies on zeolites from the faujasite group.
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