首页|Access to sodalite cages in ion-exchanged nanosized FAU zeolites probed by hyperpolarized Xe NMR and DFT calculations
Access to sodalite cages in ion-exchanged nanosized FAU zeolites probed by hyperpolarized Xe NMR and DFT calculations
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The accessibility to sodalite(SOD)cages in nanosized zeolite X(FAU-type framework)is tuned by varying the nature and location of extra-framework exchangeable cations(Na~+,Li~+,Cs~+,K~+ and Rb~+).Hyperpolarized(HP)and Exchange Spectroscopy(EXSY)~(129)Xe NMR experiments highlight the connectivity between SOD-and super(SUP)-cages,in particular that its diffusion pathway from sodalites to supercages depends mainly on the size and location of extra-framework cations present in the zeolite.These ~(129)Xe NMR results are supported by DFT simulations.Based on the computed adsorption energies of Xe in both SOD and SUP cages of zeolite X with different cationic compositions,it is concluded that xenon penetration in SUP cages is always favorable while the adsorption in the SOD cages is possible only if small cations(Na~+,Li~+,K~+)are present.
Eddy Dib、Jerome Rey、Aurelie Vicente
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Laboratoire Catalyse et Spectrochimie(LCS),Normandie Universite,ENSICAEN,UNICAEN,CNRS,6 boulevard du Marechal Juin,14050,Caen,France
Laboratoire de Physique et Chimie Theoriques,UMR 7019-CNRS,Universite de Lorraine,F-54000,Nancy,France
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