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Thermal Methane Activation by the Metal‐Free Cluster Cation [Si 2 O 4 ] .+
Author(s) -
Sun Xiaoyan,
Zhou Shaodong,
Schlangen Maria,
Schwarz Helmut
Publication year - 2017
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.201605496
Subject(s) - methane , fourier transform ion cyclotron resonance , chemistry , formaldehyde , metal , hydrogen , cluster (spacecraft) , hydrogen atom abstraction , mass spectrometry , inorganic chemistry , ion , hydrogen atom , analytical chemistry (journal) , photochemistry , organic chemistry , alkyl , chromatography , computer science , programming language
The thermal reaction of methane with the metal‐free cluster cation [Si 2 O 4 ] .+ has been examined by using Fourier transform‐ion cyclotron resonance (FT‐ICR) mass spectrometry. In addition to generating a methyl radical via hydrogen‐atom abstraction, [Si 2 O 4 ] .+ can selectively oxidize methane to formaldehyde. The mechanisms of these rather efficient reactions have been elucidated by high‐level quantum‐chemical calculations.