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• W3205395105 abstract "The reactivity of the molybdenum oxide cluster anion (MoO3 )5 O- , bearing an unpaired electron at a bridging oxygen atom (Ob.- ), towards methane under thermal collision conditions has been studied by mass spectrometry and density functional theory calculations. This reaction follows the mechanism of hydrogen atom transfer (HAT) and is facilitated by the Ob.- radical center. The reactivity of (MoO3 )5 O- can be traced back to the appropriate orientation of the lowest unoccupied molecular orbitals (LUMO) that is essentially the 2p orbital of the Ob.- atom. This study not only makes up the blank of thermal methane activation by the Ob.- radical on negatively charged clusters but also yields new insights into methane activation by the atomic oxygen radical anions." @default.
• W3205395105 created "2021-10-25" @default.
• W3205395105 creator A5003132203 @default.
• W3205395105 creator A5023754207 @default.
• W3205395105 creator A5047872264 @default.
• W3205395105 creator A5090294213 @default.
• W3205395105 date "2021-11-08" @default.
• W3205395105 modified "2023-10-12" @default.
• W3205395105 title "Methane Activation by (MoO₃)₅O⁻ Cluster Anions: The Importance of Orbital Orientation" @default.
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• W3205395105 doi "https://doi.org/10.1002/chem.202103321" @default.
• W3205395105 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34672031" @default.
• W3205395105 hasPublicationYear "2021" @default.
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