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Selective Oxidation of Methane to Methanol Catalyzed, with CH Activation, by Homogeneous, Cationic Gold
Author(s) -
Jones CJ,
Taube Doug,
Ziatdinov Vadim R.,
Periana Roy A.,
Nielsen Robert J.,
Oxgaard Jonas,
Goddard William A.
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200461055
Subject(s) - cationic polymerization , catalysis , chemistry , electrophile , methanol , homogeneous , stoichiometry , methane , homogeneous catalysis , medicinal chemistry , inorganic chemistry , photochemistry , organic chemistry , physics , thermodynamics
Cationic gold catalyzes the title reaction in strong acid solvents with Se VI as the stoichiometric oxidant. At 180 o C and 27 bar of CH 4 turnover numbers of about 30 and methanol concentrations of 0.6 M have been observed with selectivities >90%. DFT calculations indicate that cationic Au I and Au III are both viable catalysts that operate by electrophilic CH activation and oxidative functionalization (see picture).