Fe2O+ Cation Mediated Propane Oxidation by Dioxygen in the Gas Phase

Yue Zhao, Ji Chuang Hu, Jia Tong Cui, Lin Lin Xu, Jia Bi Ma*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

6 引用 (Scopus)

摘要

The mass-selected Fe2O+ cation mediated propane oxidation by O2 was investigated by mass spectrometry and density functional theory calculations. In the reaction of Fe2O+ with C3H8, H2 was liberated by C−H bond activation to give Fe2OC3H6 +. Interestingly, when a mixture of C3H8/O2 was introduced into the reactor, an intense signal that corresponded to the Fe2O2 + cation was present; the experiments indicated that O2 was activated in its reaction with Fe2O(C3H6)+ to give Fe2O2 +and C3H6O (acetone or propanal). A Langmuir–Hinshelwood-like mechanism was adopted in the propane oxidation reaction by O2 on gas-phase Fe2O+cations. In comparison with the absence of Fe2O2 + in the reaction of Fe2O+ with O2, the ligand effect of C3H6 on Fe2OC3H6 + is important in the oxygen activation reaction. The theoretical results are consistent with the experimental observations. The propane oxidation by O2 in the presence of Fe2O+ might be applied as a model for alkane and O2 activations over iron oxide catalysts, and the mechanisms and kinetic data are useful for understanding corresponding heterogeneous reactions.

源语言英语
页(从-至)5920-5926
页数7
期刊Chemistry - A European Journal
24
22
DOI
出版状态已出版 - 17 4月 2018

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Zhao, Y., Hu, J. C., Cui, J. T., Xu, L. L., & Ma, J. B. (2018). Fe2O+ Cation Mediated Propane Oxidation by Dioxygen in the Gas Phase. Chemistry - A European Journal, 24(22), 5920-5926. https://doi.org/10.1002/chem.201705997