Nanomechanics of bidentate thiolate ligands on gold surfaces

Autores
Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fil: Zoloff Michoff, Martin Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Ribas Arino, Jordi. Ruhr Universität Bochum; Alemania. Universidad de Barcelona; España
Fil: Marx, Dominik. Ruhr Universität Bochum; Alemania
Materia
Mechanical Properties
Dft
Thermal Desorption
Bidentate Thiols
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/38295
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/38295
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network_name_str CONICET Digital (CONICET)
spelling Nanomechanics of bidentate thiolate ligands on gold surfacesZoloff Michoff, Martin EduardoRibas Arino, JordiMarx, DominikMechanical PropertiesDftThermal DesorptionBidentate Thiolshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The 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.Fil: Zoloff Michoff, Martin Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Ribas Arino, Jordi. Ruhr Universität Bochum; Alemania. Universidad de Barcelona; EspañaFil: Marx, Dominik. Ruhr Universität Bochum; AlemaniaAmerican Physical Society2015-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/38295Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik; Nanomechanics of bidentate thiolate ligands on gold surfaces; American Physical Society; Physical Review Letters; 114; 7; 2-20150031-9007CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.114.075501info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.075501info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:44:26Zoai:ri.conicet.gov.ar:11336/38295instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:44:26.401CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Nanomechanics of bidentate thiolate ligands on gold surfaces
title Nanomechanics of bidentate thiolate ligands on gold surfaces
spellingShingle Nanomechanics of bidentate thiolate ligands on gold surfaces
Zoloff Michoff, Martin Eduardo
Mechanical Properties
Dft
Thermal Desorption
Bidentate Thiols
title_short Nanomechanics of bidentate thiolate ligands on gold surfaces
title_full Nanomechanics of bidentate thiolate ligands on gold surfaces
title_fullStr Nanomechanics of bidentate thiolate ligands on gold surfaces
title_full_unstemmed Nanomechanics of bidentate thiolate ligands on gold surfaces
title_sort Nanomechanics of bidentate thiolate ligands on gold surfaces
dc.creator.none.fl_str_mv Zoloff Michoff, Martin Eduardo
Ribas Arino, Jordi
Marx, Dominik
author Zoloff Michoff, Martin Eduardo
author_facet Zoloff Michoff, Martin Eduardo
Ribas Arino, Jordi
Marx, Dominik
author_role author
author2 Ribas Arino, Jordi
Marx, Dominik
author2_role author
author
dc.subject.none.fl_str_mv Mechanical Properties
Dft
Thermal Desorption
Bidentate Thiols
topic Mechanical Properties
Dft
Thermal Desorption
Bidentate Thiols
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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.
Fil: Zoloff Michoff, Martin Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Ribas Arino, Jordi. Ruhr Universität Bochum; Alemania. Universidad de Barcelona; España
Fil: Marx, Dominik. Ruhr Universität Bochum; Alemania
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.
publishDate 2015
dc.date.none.fl_str_mv 2015-02
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/38295
Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik; Nanomechanics of bidentate thiolate ligands on gold surfaces; American Physical Society; Physical Review Letters; 114; 7; 2-2015
0031-9007
CONICET Digital
CONICET
url http://hdl.handle.net/11336/38295
identifier_str_mv Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik; Nanomechanics of bidentate thiolate ligands on gold surfaces; American Physical Society; Physical Review Letters; 114; 7; 2-2015
0031-9007
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.114.075501
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.075501
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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