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Differences and Commonalities in the Gas-Phase Reactions of Closed-Shell Metal Dioxide Clusters [MO2 ](+) (M=V, Nb,
Shaodong Zhou1, Jilai Li1,2, Maria Schlangen1
1Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623, Berlin, Germany.
Abstract:
High-level electronic structure calculations, in combination with Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometric studies, permit the mechanism by which closed-shell, "naked" [TaO2 ](+) brings about C-H bond activation of methane to be revealed. These studies also help to understand why the lighter congeners of [MO2 ](+) (M=V, Nb) are unreactive under ambient conditions.
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