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Efficient Room‐Temperature, Au + ‐Mediated Coupling of a Carbene Ligand with Methane To Generate C 2 H x ( x= 4, 6)
Author(s) -
Zhou Shaodong,
Li Jilai,
Wu XiaoNan,
Schlangen Maria,
Schwarz Helmut
Publication year - 2016
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.201509320
Subject(s) - carbene , chemistry , methane , reactivity (psychology) , ligand (biochemistry) , hydrocarbon , mass spectrometry , inert , alkane , computational chemistry , photochemistry , organic chemistry , catalysis , medicine , biochemistry , alternative medicine , receptor , pathology , chromatography
The thermal reactions of the closed‐shell, “naked” gold–carbene complex [Au(CH 2 )] + with methane have been explored by using FTICR mass spectrometry complemented by quantum chemical (QC) calculations at the CCSD(T)//BMK level of theory. Mechanistic aspects for this unprecedentedly efficient carbene insertion in the CH bond of methane have been addressed and the origin of the counterintuitive high reactivity of [Au(CH 2 )] + towards this most inert hydrocarbon is discussed.