Nanomechanics of bidentate thiolate ligands on gold surfaces

The effect of the chain length separating sulfur atoms in bidentate thiols attached to defective gold surfaces on the rupture of the respective molecule-gold junctions has been studied computationally. Thermal desorption always yields cyclic disulfides. In contrast, mechanochemical desorption leads...

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Veröffentlicht in:Physical review letters 2015-02, Vol.114 (7), p.075501-075501, Article 075501
Hauptverfasser: Zoloff Michoff, Martin E, Ribas-Arino, Jordi, Marx, Dominik
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Ribas-Arino, Jordi
Marx, Dominik
description The effect of the chain length separating sulfur atoms in bidentate thiols attached to defective gold surfaces on the rupture of the respective molecule-gold junctions has been studied computationally. Thermal desorption always yields cyclic disulfides. In contrast, mechanochemical desorption leads to cyclic gold complexes, where metal atoms are extracted from the surface and kept in tweezer-like arrangements by the sulfur atoms. This phenomenon is rationalized in terms of directional mechanical manipulation of Au-Au bonds and Au-S coordination numbers. Moreover, the flexibility of the chain is shown to crucially impact on the mechanical strength of the junction.
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source Recercat; American Physical Society Journals
subjects Atoms
Chains
Coordination numbers
Desorption
Flexibility
Gold
Lead (metal)
Ligands
Nanotechnology
Nanotecnologia
Sulfur
Àtoms
title Nanomechanics of bidentate thiolate ligands on gold surfaces
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