Efficient Room‐Temperature,Au+‐Mediated Coupling of a Carbene Ligand with Methane To Generate C2Hx (x=4, 6) |
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| Authors: | Dr. Shaodong Zhou Dr. Jilai Li Dr. Xiao‐Nan Wu Dr. Maria Schlangen Prof. Helmut Schwarz |
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| Affiliation: | 1. Institut für Chemie, Technische Universit?t Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany);2. Institute of Theoretical Chemistry, Jilin University, Changchun, 130023 (People's Republic of China) |
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| 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. |
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| Keywords: | gas‐phase reactions gold carbenes methane activation quantum chemical calculations |
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