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• W2079415073 abstract "Abstract The reactivity of the heteronuclear oxide cluster [Ga 2 Mg 2 O 5 ] .+ , bearing an unpaired electron at a bridging oxygen atom (O b .− ), towards methane and ethane has been studied using Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS). Hydrogen‐atom transfer (HAT) from both methane and ethane to the cluster ion is identified experimentally. The reaction mechanisms of these reactions are elucidated by state‐of‐the‐art quantum chemical calculations. The roles of spin density and charge distributions in HAT processes, as revealed by theory, not only deepen our mechanistic understanding of CH bond activation but also provide important guidance for the rational design of catalysts by pointing to the particular role of doping effects." @default.
• W2079415073 created "2016-06-24" @default.
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• W2079415073 date "2015-02-27" @default.
• W2079415073 modified "2023-10-18" @default.
• W2079415073 title "On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga₂Mg₂O₅]^.+in the Thermal Activation of Methane and Ethane: An Unusual Doping Effect" @default.
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• W2079415073 doi "https://doi.org/10.1002/anie.201412441" @default.
• W2079415073 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25728585" @default.
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