The interaction of CO with alkali metal-exchanged mordenite has been investigated by means of IR spectroscopy and calorimetry along with theoretical calculations based on DFT corrected to coupled-cluster accuracy (DFT/CC). It has been convincingly shown that Li⁺ is at least partially exchanged into the constricted part of the MOR structure as manifested by the low-frequency band at 2181 cm⁻¹ and the isosteric heat of 44 kJ/mol. In the case of Na-MOR samples, significant changes have been observed in the stabilities of high- (2177 cm⁻¹) and low-frequency (2165 cm⁻¹) bands upon CO desorption, with the change of the Si/Al ratio from 40 to 9. Based on the kinetic measurements, it can be concluded that a crucial role in the MOR material is played by diffusion limitations, which are significantly influenced by the Si/Al ratio and the size of the cations. Similar effects also result in the increased stability of the 2138 cm⁻¹ band of Na/K-MOR samples with higher Al content, where the “gate” effect is observed upon N₂ adsorption. The dual cationic sites are directly observed only for the K-MOR sample via the weak band around 2150 cm⁻¹. The formation of dual cationic sites cannot be completely ruled out in the case of Na-MOR, but their presence is most likely hidden in the low-frequency band.

通过红外光谱法和量热法，以及基于校正成簇精度（DFT / CC）的DFT的理论计算，研究了CO与碱金属交换的丝光沸石的相互作用。已经令人信服地表明，Li ⁺被至少部分交换到MOR结构的狭窄部分中，如在2181 cm ^-1处的低频带和44 kJ / mol的等排热所表明的。在Na- MOR样品的情况下，已观察到高（2177 cm ^-1）和低频（2165 cm ^-1）的稳定性发生了显着变化。CO解吸后，Si / Al的比值从40变为9。根据动力学测量结果，可以得出结论，MOR材料中的关键作用是扩散限制，而扩散限制会显着影响Si / Al比和阳离子的大小。类似的效果还导致具有较高Al含量的Na / K- MOR样品的2138 cm ^-1谱带的稳定性提高，其中在N ₂吸附时观察到“门”效应。仅通过2150 cm ^-1附近的弱带直接观察到K- MOR样品的双阳离子位点。在Na- MOR的情况下，不能完全排除双阳离子位的形成，但它们的存在很可能隐藏在低频频带中。