Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces

Ru(II) bipyridyl complexes were covalently bonded to self-assembled monolayers (SAM) on Au surfaces. Their molecular and electronic structure was studied by means of polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), photoelectron spectroscopies, scanning tunneling micro...

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Authors: de la Llave, Ezequiel Pablo, Herrera, Santiago Esteban, Méndez de Leo, Lucila Paula, Williams, Federico José
Format: article
Status:Published version
Publication Date:2014
Country:Argentina
Institution:Consejo Nacional de Investigaciones Científicas y Técnicas
Repository:CONICET Digital (CONICET)
Language:English
OAI Identifier:oai:ri.conicet.gov.ar:11336/31737
Online Access:http://hdl.handle.net/11336/31737
Access Level:Open access
Keyword:Self Assembled Monolayers
Molecular Structure
Electronic Structure
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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dc.title.none.fl_str_mv Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
title Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
spellingShingle Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
de la Llave, Ezequiel Pablo
Self Assembled Monolayers
Molecular Structure
Electronic Structure
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
title_full Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
title_fullStr Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
title_full_unstemmed Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
title_sort Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces
dc.creator.none.fl_str_mv de la Llave, Ezequiel Pablo
Herrera, Santiago Esteban
Méndez de Leo, Lucila Paula
Williams, Federico José
author de la Llave, Ezequiel Pablo
author_facet de la Llave, Ezequiel Pablo
Herrera, Santiago Esteban
Méndez de Leo, Lucila Paula
Williams, Federico José
author_role author
author2 Herrera, Santiago Esteban
Méndez de Leo, Lucila Paula
Williams, Federico José
author2_role author
author
author
dc.subject.none.fl_str_mv Self Assembled Monolayers
Molecular Structure
Electronic Structure
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Self Assembled Monolayers
Molecular Structure
Electronic Structure
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description Ru(II) bipyridyl complexes were covalently bonded to self-assembled monolayers (SAM) on Au surfaces. Their molecular and electronic structure was studied by means of polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), photoelectron spectroscopies, scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. We found that attaching the Ru complex to the SAM does not cause great modifications to its molecular structure, which retains the alkyl chain 30 deg tilted with respect to the surface normal. Furthermore, the Ru center is located 20 Å away from the metal surface, i.e., at a sufficient distance to prevent direct electronic interaction with the substrate. Indeed the electronic structure of the Ru complex is similar to that of the free molecule with a HOMO molecular orbital mainly based on the Ru center located 2.1 eV below the Fermi edge and the LUMO molecular orbital based on the bipyridine groups located 1 eV above the Fermi level.
publishDate 2014
dc.date.none.fl_str_mv 2014-08
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/11336/31737
Williams, Federico José; Méndez de Leo, Lucila Paula; Herrera, Santiago Esteban; de la Llave, Ezequiel Pablo; Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces; American Chemical Society; Journal of Physical Chemistry C; 118; 37; 8-2014; 21420-21427
1932-7447
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31737
identifier_str_mv Williams, Federico José; Méndez de Leo, Lucila Paula; Herrera, Santiago Esteban; de la Llave, Ezequiel Pablo; Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces; American Chemical Society; Journal of Physical Chemistry C; 118; 37; 8-2014; 21420-21427
1932-7447
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/ 10.1021/jp507199z
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp507199z
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
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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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spelling Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfacesde la Llave, Ezequiel PabloHerrera, Santiago EstebanMéndez de Leo, Lucila PaulaWilliams, Federico JoséSelf Assembled MonolayersMolecular StructureElectronic Structurehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Ru(II) bipyridyl complexes were covalently bonded to self-assembled monolayers (SAM) on Au surfaces. Their molecular and electronic structure was studied by means of polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), photoelectron spectroscopies, scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. We found that attaching the Ru complex to the SAM does not cause great modifications to its molecular structure, which retains the alkyl chain 30 deg tilted with respect to the surface normal. Furthermore, the Ru center is located 20 Å away from the metal surface, i.e., at a sufficient distance to prevent direct electronic interaction with the substrate. Indeed the electronic structure of the Ru complex is similar to that of the free molecule with a HOMO molecular orbital mainly based on the Ru center located 2.1 eV below the Fermi edge and the LUMO molecular orbital based on the bipyridine groups located 1 eV above the Fermi level.Fil: de la Llave, Ezequiel Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Herrera, Santiago Esteban. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Méndez de Leo, Lucila Paula. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Williams, Federico José. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaAmerican Chemical Society2014-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31737Williams, Federico José; Méndez de Leo, Lucila Paula; Herrera, Santiago Esteban; de la Llave, Ezequiel Pablo; Molecular and Electronic Structure of Self-Assembled Monolayers Containing Ruthenium(II) Complexes on Gold Surfaces; American Chemical Society; Journal of Physical Chemistry C; 118; 37; 8-2014; 21420-214271932-7447CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/ 10.1021/jp507199zinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp507199zinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:14:59Zoai:ri.conicet.gov.ar:11336/31737instacron: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:34982024-05-08 14:15:00.045CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
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