| Literature DB >> 27943447 |
Xiaoyan Sun1, Shaodong Zhou1, Maria Schlangen1, Helmut Schwarz1.
Abstract
The thermal reaction of methane with the metal-free cluster cation [Si2 O4 ].+ 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, [Si2 O4 ].+ can selectively oxidize methane to formaldehyde. The mechanisms of these rather efficient reactions have been elucidated by high-level quantum-chemical calculations.Entities:
Keywords: gas-phase reactions; methane activation; quantum-chemical calculations; silicon oxide cluster
Year: 2017 PMID： 27943447 DOI： 10.1002/chem.201605496
Source DB: PubMed Journal: Chemistry ISSN： 0947-6539 Impact factor: 5.236