Differences and Commonalities in the Gas‐Phase Reactions of Closed‐Shell Metal Dioxide Clusters [MO 2 ] +  (M=V, Nb, and Ta) with Methane | Zendy

Zhou Shaodong | Zendy; Li Jilai | Zendy; Schlangen Maria | Zendy; Schwarz Helmut | Zendy

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Differences and Commonalities in the Gas‐Phase Reactions of Closed‐Shell Metal Dioxide Clusters [MO 2 ] + (M=V, Nb, and Ta) with Methane

Author(s) -

Zhou Shaodong,

Li Jilai,

Schlangen Maria,

Schwarz Helmut

Publication year - 2016

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.201600498

Subject(s) - fourier transform ion cyclotron resonance , methane , chemistry , metal , shell (structure) , gas phase , ion , phase (matter) , analytical chemistry (journal) , ion cyclotron resonance , inorganic chemistry , atomic physics , cyclotron , materials science , physics , organic chemistry , composite material

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” [TaO 2 ] + brings about C−H bond activation of methane to be revealed. These studies also help to understand why the lighter congeners of [MO 2 ] + (M=V, Nb) are unreactive under ambient conditions.

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