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Issue 19, 2017
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Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry

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Abstract

This review provides an overview and an update on how single-atom catalysis can be achieved at a strictly molecular level by performing well-designed gas-phase experiments complemented by quantum chemical calculations. Examples discussed include mechanistic aspects of (i) metal-mediated carbon–carbon bond formation (coupling of methane), (ii) the room temperature oxygen-atom transfer in the redox couple N2O/CO, and (iii) the selective oxidation of inert substrates like H2 or CH4 by mass-selected metal oxides. While this novel approach, in principle, never accounts for many details of processes occurring in solution or on a surface, it has proved extremely useful in providing a conceptual framework.

Graphical abstract: Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry

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Publication details

The article was received on 21 Dec 2016, accepted on 01 Feb 2017 and first published on 02 Feb 2017


Article type: Minireview
DOI: 10.1039/C6CY02658C
Citation: Catal. Sci. Technol., 2017,7, 4302-4314
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    Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry

    H. Schwarz, Catal. Sci. Technol., 2017, 7, 4302
    DOI: 10.1039/C6CY02658C

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