Efficient Room‐Temperature, Au+‐Mediated Coupling of a Carbene Ligand with Methane To Generate C2Hx (x=4, 6). Issue 1 (18th November 2015)

• Record Type: Journal Article
• Authors: Zhou, Shaodong; Li, Jilai; Wu, Xiao‐Nan; Schlangen, Maria; Schwarz, Helmut
• Is Part Of: Angewandte Chemie international edition. Volume 55:Issue 1(2016)
• Page Start: 441
• Page End: 444
• Publication Date: 2015-11-18
• Subjects: gas‐phase reactions -- gold carbenes -- methane activation -- quantum chemical calculations; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201509320
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: The thermal reactions of the closed‐shell, "naked" gold–carbene complex [Au(CH2 )] + 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 CH bond of methane have been addressed and the origin of the counterintuitive high reactivity of [Au(CH2 )] + towards this most inert hydrocarbon is discussed. Abstract : The thermal reactions of the closed‐shell, "naked" gold–carbene complex [Au(CH2 )] + with methane have been explored by using FTICR mass spectrometry complemented by quantum chemical calculations. The insertion of the carbene ligand into the CH bond of methane have been addressed mechanistically and the origin of the counterintuitive high reactivity of [Au(CH2 )] + towards this most inert hydrocarbon is discussed.