Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 54, Issue 30, Pages 8783-8786Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201502748
Keywords
adsorption; density functional calculations; heterogeneous catalysis; NMR spectroscopy; zeolites
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Funding
- National Natural Science Foundation of China [21303089, 21103231, 21421001]
- 111 Project [B12015]
- Ministry of Education of China [IRT13022]
- Deutsche Forschungsgemeinschaft [HU533/13-1]
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Experimental evidence for the presence of tert-butyl cations, which are important intermediates in acid-catalyzed heterogeneous reactions, on solid acids has still not been provided to date. By combining density functional theory (DFT) calculations with H-1/C-13 magic-angle-spinning NMR spectroscopy, the tert-butyl cation was successfully identified on zeolite H-ZSM-5 upon conversion of isobutene by capturing this intermediate with ammonia.
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