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

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


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.