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• W2078595924 abstract "The adsorption of toluene inside partially Li+-exchanged zeolite Y (LiNa−Y) was examined by solid-state NMR spectroscopy. The environments of Li+ and Na+ ions at different sites in the framework before and after adsorption were characterized by 7Li and 23Na magic-angle-spinning (MAS) NMR. The information on the dynamic behavior of guest molecules inside the supercage of the zeolite was obtained from wide-line 2H NMR spectra. The cation−sorbate interactions were directly probed by heteronuclear dipolar coupling based double-resonance experiments such as 7Li{1H} and 23Na{1H} rotational-echo double-resonance (REDOR) experiments. Molecular modeling was also performed to assist in interpreting NMR results. The 7Li and 23Na MAS results indicate that during ion exchange the incoming Li+ ions fill the SI‘ sites first and then the SII sites, and the remaining Na+ ions stay mostly at SII sites. The MAS and REDOR results show that the toluene molecules are facially coordinated to the cations at SII sites in the supercage to form a π-complex, resulting in a significant change in chemical shift of the Li+ ions and a dramatic reduction in the quadrupolar coupling constant (QCC) of the Na+ ions. The 2H NMR spectra indicate that at room temperature some toluene molecules reorient around the molecular long axis (two-site flip) and others undergo multiple-site jump motion, but at low temperature only two-site flip, at a much slower rate, remains. Both 2H and REDOR results show that the molecular dynamics of the guest species is also affected by the cation composition." @default.
• W2078595924 created "2016-06-24" @default.
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• W2078595924 date "2007-08-22" @default.
• W2078595924 modified "2023-09-27" @default.
• W2078595924 title "Study of the Adsorption of Toluene in Zeolite LiNa−Y by Solid-State NMR Spectroscopy" @default.
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• W2078595924 doi "https://doi.org/10.1021/jp0706275" @default.
• W2078595924 hasPublicationYear "2007" @default.
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