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| - Investigation of the Adsorption of Methanol on Alkali Metal Cation Exchanged Zeolite Xby Inelastic Neutron Scattering
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| - The adsorption of methanol on alkali metal cation exchanged zeolite X was studied by inelastic neutronscattering (INS) and Fourier transform infrared (FTIR) spectroscopy in the range 30−2000 and 1300−3800cm-1, respectively. Infrared vibrational spectra from solid methanol and methanol adsorbed on the zeoliteswere compared to INS spectra calculated from ab initio simulations for one, two, and three methanol aggregatesto describe the interactions between the sorbate molecules and the zeolite. Solid methanol was found tocrystallize in the low temperature α-phase by instant cooling to temperatures below 20 K. The primaryinteraction of methanol and the zeolite occurred between the oxygen atom of the alcohol and the cationslocated at the ion exchange positions of the zeolite. The increasing shift of the ν(OH) stretching vibrationwith increasing framework polarity of the zeolite indicates additional interaction between the OH group ofmethanol and the lattice oxygen atoms as well as intermolecular hydrogen bonding between adjacent adsorbedmethanol molecules.
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