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The dynamic interaction of methanol and its derivatives with Cu-exchanged ZSM-5 during methanol temperature programmed desorption from 30 to 450 C has been investigated using in situ di↵use reflectance infrared Fourier transform spectroscopy and first-principles calculations. The results emphasize that defects in the framework structure of the zeolite and Brønsted acid sites constitute ion-exchange sites for Cu 1 ions. The Cu sites introduced in ZSM-5 actively interact with methanol adsorbed atdoi:10.1021/acs.jpcc.7b07067.s001 fatcat:ccno3jphy5cmlnm3axvwtt3nwy