AI Article Synopsis
- Researchers have not previously provided experimental evidence of tert-butyl cations, crucial intermediates in acid-catalyzed reactions, existing on solid acids.
- By using density functional theory (DFT) and advanced NMR spectroscopy techniques, researchers were able to successfully identify tert-butyl cations on the zeolite H-ZSM-5.
- This identification occurred during the conversion process of isobutene, where the intermediate was captured with ammonia.
Article Abstract
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 (1)H/(13)C 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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| http://dx.doi.org/10.1002/anie.201502748 | DOI Listing |
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