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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.