Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)

We investigated the thermally induced covalent coupling of cobalt porphyrin (CoP) molecules on an Au(111) surface using scanning tunnelling microscopy and first-principle calculations. While CoP molecules deposited at room temperature remain isolated due to electrostatic repulsion, annealing the sub...

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Autores: Bouatou, M., Montenegro-Pohlhammer, Nicolás, Sánchez de Armas, María Rocío, Barthel, C., Jiménez Calzado, Carmen, Gruber, M.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Institución:Universidad de Sevilla (US)
Repositorio:idUS. Depósito de Investigación de la Universidad de Sevilla
OAI Identifier:oai:idus.us.es:11441/175734
Acceso en línea:https://hdl.handle.net/11441/175734
https://doi.org/10.1088/1361-648X/add6fe
Access Level:acceso abierto
Palabra clave:Scanning tunnelling microscopy
Homocoupling
Self-assembly
Porphyrin
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spelling Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)Bouatou, M.Montenegro-Pohlhammer, NicolásSánchez de Armas, María RocíoBarthel, C.Jiménez Calzado, CarmenGruber, M.Scanning tunnelling microscopyHomocouplingSelf-assemblyPorphyrinWe investigated the thermally induced covalent coupling of cobalt porphyrin (CoP) molecules on an Au(111) surface using scanning tunnelling microscopy and first-principle calculations. While CoP molecules deposited at room temperature remain isolated due to electrostatic repulsion, annealing the substrate leads to their aggregation into chain-like structures with covalent bonding. Three distinct bonding motifs are identified, with calculations revealing weak magnetic coupling between the S = 1/2 Co ions. This work evidences a straightforward method for synthesising multinuclear complexes with magnetically coupled spins on surfaces, offering potential applications in molecular spintronics.IOP PublishingQuímica FísicaDeutsche Forschungsgemeinschaft / German Research Foundation (DFG)Ministerio de Ciencia, Innovación y Universidades (MICIU). España2025info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfapplication/pdfhttps://hdl.handle.net/11441/175734https://doi.org/10.1088/1361-648X/add6fereponame:idUS. Depósito de Investigación de la Universidad de Sevillainstname:Universidad de Sevilla (US)InglésJournal of Physics: Condensed Matter, 37 (23), 235001.Bouatou, M., Montenegro-Pohlhammer, N.,...,Gruber, M. (2025). Dataset for the preparation of the manuscript 'Thermally-induced covalent coupling of cobalt porphyrin molecules on Au(111)'. idUS (Depósito de Investigación de la Universidad de Sevilla). https://doi.org/10.12795/11441/176437.278162697-SFB 1242PID2021-127674NB-I00https://doi.org/10.1088/1361-648X/add6feinfo:eu-repo/semantics/openAccessoai:idus.us.es:11441/1757342026-06-17T12:51:07Z
dc.title.none.fl_str_mv Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
title Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
spellingShingle Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
Bouatou, M.
Scanning tunnelling microscopy
Homocoupling
Self-assembly
Porphyrin
title_short Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
title_full Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
title_fullStr Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
title_full_unstemmed Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
title_sort Thermally-induced Covalent Coupling of Cobalt Porphyrin Molecules on Au(111)
dc.creator.none.fl_str_mv Bouatou, M.
Montenegro-Pohlhammer, Nicolás
Sánchez de Armas, María Rocío
Barthel, C.
Jiménez Calzado, Carmen
Gruber, M.
author Bouatou, M.
author_facet Bouatou, M.
Montenegro-Pohlhammer, Nicolás
Sánchez de Armas, María Rocío
Barthel, C.
Jiménez Calzado, Carmen
Gruber, M.
author_role author
author2 Montenegro-Pohlhammer, Nicolás
Sánchez de Armas, María Rocío
Barthel, C.
Jiménez Calzado, Carmen
Gruber, M.
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Química Física
Deutsche Forschungsgemeinschaft / German Research Foundation (DFG)
Ministerio de Ciencia, Innovación y Universidades (MICIU). España
dc.subject.none.fl_str_mv Scanning tunnelling microscopy
Homocoupling
Self-assembly
Porphyrin
topic Scanning tunnelling microscopy
Homocoupling
Self-assembly
Porphyrin
description We investigated the thermally induced covalent coupling of cobalt porphyrin (CoP) molecules on an Au(111) surface using scanning tunnelling microscopy and first-principle calculations. While CoP molecules deposited at room temperature remain isolated due to electrostatic repulsion, annealing the substrate leads to their aggregation into chain-like structures with covalent bonding. Three distinct bonding motifs are identified, with calculations revealing weak magnetic coupling between the S = 1/2 Co ions. This work evidences a straightforward method for synthesising multinuclear complexes with magnetically coupled spins on surfaces, offering potential applications in molecular spintronics.
publishDate 2025
dc.date.none.fl_str_mv 2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/11441/175734
https://doi.org/10.1088/1361-648X/add6fe
url https://hdl.handle.net/11441/175734
https://doi.org/10.1088/1361-648X/add6fe
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Journal of Physics: Condensed Matter, 37 (23), 235001.
Bouatou, M., Montenegro-Pohlhammer, N.,...,Gruber, M. (2025). Dataset for the preparation of the manuscript 'Thermally-induced covalent coupling of cobalt porphyrin molecules on Au(111)'. idUS (Depósito de Investigación de la Universidad de Sevilla). https://doi.org/10.12795/11441/176437.
278162697-SFB 1242
PID2021-127674NB-I00
https://doi.org/10.1088/1361-648X/add6fe
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
dc.source.none.fl_str_mv reponame:idUS. Depósito de Investigación de la Universidad de Sevilla
instname:Universidad de Sevilla (US)
instname_str Universidad de Sevilla (US)
reponame_str idUS. Depósito de Investigación de la Universidad de Sevilla
collection idUS. Depósito de Investigación de la Universidad de Sevilla
repository.name.fl_str_mv
repository.mail.fl_str_mv
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