Faculty of Materials Science and Ceramic, AGH University of Science and Technology, 30 Mickiewicza Av., 30-059 Krakow, Poland.
Molecules. 2021 Jan 11;26(2):342. doi: 10.3390/molecules26020342.
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.
沸石 Y 是最早被发现和应用最广泛的合成沸石之一。许多实验研究验证了这种沸石具有宝贵的离子交换能力。在本研究中，我们评估了离子交换对其振动光谱的影响。我们应用了经典的晶格动力学方法来计算红外和拉曼强度。比较了不同阳离子优化后的沸石 Y 结构的计算光谱与实验数据。本研究中获得的光谱与之前关于丝光沸石族沸石的实验和计算研究一致。
