Matches in SemOpenAlex for { <https://semopenalex.org/work/W2104165819> ?p ?o ?g. }
- W2104165819 endingPage "10084" @default.
- W2104165819 startingPage "10084" @default.
- W2104165819 abstract "The Sc3O6− cluster anions were produced by laser ablation and studied by reaction with n-butane in a fast flow reactor and by photoelectron spectroscopy. The reactivity experiments indicated that one Sc3O6− cluster can activate two n-butane molecules consecutively with rate constants on the order of 10−10 cm3 molecule−1 s−1 under near room-temperature conditions, suggesting that the even-electron system Sc3O6− has a highly reactive electronic structure. The photoelectron spectroscopy determined a high vertical detachment energy (VDE) of 5.63 ± 0.08 eV for the Sc3O6− cluster. Density functional computations indicated that the lowest energy isomer of Sc3O6− is an oxygen-centered biradical with a high VDE and is highly reactive toward n-butane, which is in good agreement with the experiments. The Sc3O6− cluster may serve as an ideal model system to provide insight into the real-life chemistry involved with the coupled O−˙⋯O−˙ dimers over the surfaces of metal oxide catalysts." @default.
- W2104165819 created "2016-06-24" @default.
- W2104165819 creator A5003132203 @default.
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- W2104165819 creator A5023754207 @default.
- W2104165819 creator A5063005199 @default.
- W2104165819 creator A5078723806 @default.
- W2104165819 date "2011-01-01" @default.
- W2104165819 modified "2023-10-18" @default.
- W2104165819 title "Electronic structure and reactivity of a biradical cluster: Sc3O6−" @default.
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