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A Complete Catalytic Cycle for Supramolecular Methanol-to-Olefins Conversion by Linking Theory with Experiment

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D.M. McCann, D. Lesthaeghe, P.W. Kletnieks, D.R. Guenther, M.J. Hayman, V. Van Speybroeck, M. Waroquier, J.F. Haw
Angewandte Chemie int. Ed.
47 (28), 5179-5182
2008
A1

Abstract 

Le Tour de MTO: A complete working catalytic cycle for the conversion of methanol to olefins in HZSM-5 is reported in full consistency with both experimental and theoretical observations. This particular route includes carbon-atom scrambling into a methylbenzene ring, NMR-observed cationic intermediates, and the production of isobutene.

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