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Issue 12, 2017
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N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

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Abstract

By means of scanning tunnelling microscopy (STM), complementary density functional theory (DFT) and X-ray photoelectron spectroscopy (XPS) we investigate the binding and self-assembly of a saturated molecular layer of model N-heterocyclic carbene (NHC) on Cu(111), Ag(111) and Au(111) surfaces under ultra-high vacuum (UHV) conditions. XPS reveals that at room temperature, coverages up to a monolayer exist, with the molecules engaged in metal carbene bonds. On all three surfaces, we resolve similar arrangements, which can be interpreted only in terms of mononuclear M(NHC)2 (M = Cu, Ag, Au) complexes, reminiscent of the paired bonding of thiols to surface gold adatoms. Theoretical investigations for the case of Au unravel the charge distribution of a Au(111) surface covered by Au(NHC)2 and reveal that this is the energetically preferential adsorption configuration.

Graphical abstract: N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

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Publication details

The article was received on 29 Aug 2017, accepted on 27 Sep 2017 and first published on 28 Sep 2017


Article type: Edge Article
DOI: 10.1039/C7SC03777E
Citation: Chem. Sci., 2017,8, 8301-8308
  • Open access: Creative Commons BY-NC license
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    N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

    L. Jiang, B. Zhang, G. Médard, A. P. Seitsonen, F. Haag, F. Allegretti, J. Reichert, B. Kuster, J. V. Barth and A. C. Papageorgiou, Chem. Sci., 2017, 8, 8301
    DOI: 10.1039/C7SC03777E

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