期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 59, 期 21, 页码 8042-8046出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202002440
关键词
hexagonal boron nitride; mass spectrometry; methyl radicals; oxidative dehydrogenation; reaction pathways
资金
- Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences
- National Natural Science Foundation of China [21525313, 91745202, 21703227]
- Chinese Academy of Sciences
- Changjiang Scholars Program of Ministry of Education of China
- China Scholarship Council
Although hexagonal boron nitride (h-BN) has recently been identified as a highly efficient catalyst for the oxidative dehydrogenation of propane (ODHP) reaction, the reaction mechanisms, especially regarding radical chemistry of this system, remain elusive. Now, the first direct experimental evidence of gas-phase methyl radicals (CH3.) in the ODHP reaction over boron-based catalysts is achieved by using online synchrotron vacuum ultraviolet photoionization mass spectroscopy (SVUV-PIMS), which uncovers the existence of gas-phase radical pathways. Combined with density functional theory (DFT) calculations, the results demonstrate that propene is mainly generated on the catalyst surface from the C-H activation of propane, while C-2 and C-1 products can be formed via both surface-mediated and gas-phase pathways. These observations provide new insights towards understanding the ODHP reaction mechanisms over boron-based catalysts.
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