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- Title
Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]<sup>+</sup> with Methane under Ambient Conditions.
- Authors
Li, Jilai; Zhou, Shaodong; Schlangen, Maria; Weiske, Thomas; Schwarz, Helmut
- Abstract
The reactivity of the cationic gold carbide [AuC]+ (bearing an electrophilic carbon atom) towards methane has been studied using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). The product pairs generated, that is, Au+/C2H4, [Au(C2H2)]+/H2, and [C2H3]+/AuH, point to the breaking and making of C−H, C−C, and H−H bonds under single-collision conditions. The mechanisms of these rather efficient reactions have been elucidated by high-level quantum-chemical calculations. As a major result, based on molecular orbital and NBO-based charge analysis, an unprecedented hydride transfer from methane to the carbon atom of [AuC]+ has been identified as a key step. Also, the origin of this novel mechanistic scenario has been addressed. The mechanistic insights derived from this study may provide guidance for the rational design of carbon-based catalysts.
- Subjects
GOLD compounds; CARBIDES; HYDRIDE transfer reactions; METHANE; ION cyclotron resonance spectrometry
- Publication
Angewandte Chemie, 2016, Vol 128, Issue 42, p13266
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.201606707