Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)

This article reports on the temperature-controlled irreversible transition between the two isomeric forms of the strong electron acceptor dicyano-pquinonediimine (DCNQI) on the Cu(100) surface. A combination of experiment (time-resolved, variable-temperature scanning tunneling microscopy, STM) and t...

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Detalhes bibliográficos
Autores: Urban, Christian, Wang, Yang, Rodríguez Fernáncdez, Jonathan, Herranz, M.Angeles, Alcamí, Manuel, Martín, Nazario, Martín, Fernando, Gallego, José M., Otero, Roberto, Miranda, Rodolfo
Formato: artículo
Fecha de publicación:2014
País:España
Recursos:Universidad Complutense de Madrid (UCM)
Repositorio:Docta Complutense
Idioma:inglés
OAI Identifier:oai:docta.ucm.es:20.500.14352/35078
Acesso em linha:https://hdl.handle.net/20.500.14352/35078
Access Level:acceso abierto
Palavra-chave:547
Copper
Isomerization
Isomers
Scanning tunneling microscopy
Química orgánica (Química)
2306 Química Orgánica
id ES_4a9759e81fdaff6dbe309cabd3e2fe18
oai_identifier_str oai:docta.ucm.es:20.500.14352/35078
network_acronym_str ES
network_name_str España
repository_id_str
spelling Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)Urban, ChristianWang, YangRodríguez Fernáncdez, JonathanHerranz, M.AngelesAlcamí, ManuelMartín, NazarioMartín, FernandoGallego, José M.Otero, RobertoMiranda, Rodolfo547CopperIsomerizationIsomersScanning tunneling microscopyQuímica orgánica (Química)2306 Química OrgánicaThis article reports on the temperature-controlled irreversible transition between the two isomeric forms of the strong electron acceptor dicyano-pquinonediimine (DCNQI) on the Cu(100) surface. A combination of experiment (time-resolved, variable-temperature scanning tunneling microscopy, STM) and theory (density functional theory, DFT) shows that the isomerization barrier is lower than in the gas phase or solution due to the fact that charge transfer from the substrate modifies the bond configuration of the molecule, aromatizing the quinoid ring of DCNQI and enabling a more free rotation of the cyano groups with respect to the molecular axis.ACSUniversidad Complutense de Madrid20142014-01-0120142014-01-01journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/20.500.14352/35078reponame:Docta Complutenseinstname:Universidad Complutense de Madrid (UCM)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:docta.ucm.es:20.500.14352/350782026-06-02T12:44:21Z
dc.title.none.fl_str_mv Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
title Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
spellingShingle Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
Urban, Christian
547
Copper
Isomerization
Isomers
Scanning tunneling microscopy
Química orgánica (Química)
2306 Química Orgánica
title_short Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
title_full Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
title_fullStr Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
title_full_unstemmed Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
title_sort Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
dc.creator.none.fl_str_mv Urban, Christian
Wang, Yang
Rodríguez Fernáncdez, Jonathan
Herranz, M.Angeles
Alcamí, Manuel
Martín, Nazario
Martín, Fernando
Gallego, José M.
Otero, Roberto
Miranda, Rodolfo
author Urban, Christian
author_facet Urban, Christian
Wang, Yang
Rodríguez Fernáncdez, Jonathan
Herranz, M.Angeles
Alcamí, Manuel
Martín, Nazario
Martín, Fernando
Gallego, José M.
Otero, Roberto
Miranda, Rodolfo
author_role author
author2 Wang, Yang
Rodríguez Fernáncdez, Jonathan
Herranz, M.Angeles
Alcamí, Manuel
Martín, Nazario
Martín, Fernando
Gallego, José M.
Otero, Roberto
Miranda, Rodolfo
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidad Complutense de Madrid
dc.subject.none.fl_str_mv 547
Copper
Isomerization
Isomers
Scanning tunneling microscopy
Química orgánica (Química)
2306 Química Orgánica
topic 547
Copper
Isomerization
Isomers
Scanning tunneling microscopy
Química orgánica (Química)
2306 Química Orgánica
description This article reports on the temperature-controlled irreversible transition between the two isomeric forms of the strong electron acceptor dicyano-pquinonediimine (DCNQI) on the Cu(100) surface. A combination of experiment (time-resolved, variable-temperature scanning tunneling microscopy, STM) and theory (density functional theory, DFT) shows that the isomerization barrier is lower than in the gas phase or solution due to the fact that charge transfer from the substrate modifies the bond configuration of the molecule, aromatizing the quinoid ring of DCNQI and enabling a more free rotation of the cyano groups with respect to the molecular axis.
publishDate 2014
dc.date.none.fl_str_mv 2014
2014-01-01
2014
2014-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/20.500.14352/35078
url https://hdl.handle.net/20.500.14352/35078
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv ACS
publisher.none.fl_str_mv ACS
dc.source.none.fl_str_mv reponame:Docta Complutense
instname:Universidad Complutense de Madrid (UCM)
instname_str Universidad Complutense de Madrid (UCM)
reponame_str Docta Complutense
collection Docta Complutense
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869407504189882368
score 15,301603

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