ZSM-5 Zeolite: Complete Al Bond Connectivity and Implications on Structure Formation from Solid-State NMR and Quantum Chemistry Calculations

Abstract : The Al site distribution in the structurally complex and industrially important ZSM-5 zeolite is determined by studying the spectroscopic response of Al(OSi)4 units and using a self-consistent combination of up-to-date solid-state NMR correlations (29Si-27Al and 1H-27Al D-HMQC) and quantum chemistry methods (DFT-D). To unravel the driving forces behind specific Al sitting positions our approach focus on ZSM-5 containing its more efficient OSDA, tetrapropylammonium.
Keywords : zeolites NMR DFT
Type de document :
Article dans une revue
Journal of Physical Chemistry Letters, American Chemical Society, 2018, 9, pp.19 - 24. 〈10.1021/acs.jpclett.7b03050〉
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Contributeur : Bruno Alonso <>
Soumis le : mardi 19 décembre 2017 - 11:45:55
Dernière modification le : jeudi 3 mai 2018 - 16:04:02

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Eddy Dib, Tzonka Mineva, Emmanuel Veron, Vincent Sarou-Kanian, Franck Fayon, et al.. ZSM-5 Zeolite: Complete Al Bond Connectivity and Implications on Structure Formation from Solid-State NMR and Quantum Chemistry Calculations. Journal of Physical Chemistry Letters, American Chemical Society, 2018, 9, pp.19 - 24. 〈10.1021/acs.jpclett.7b03050〉. 〈hal-01667318〉

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