Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules

A family of hexakis-substituted [60]fullerene adducts endowed with the well-known tridentate 2,6-bis(pyrazol-1-yl)pyridine (bpp) ligand for spin-crossover (SCO) systems has been designed and synthesized. It has been experimentally and theoretically demonstrated that these molecular scaffolds are abl...

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Authors: Palacios-Corella, Mario, Ramos-Soriano, Javier, Souto, Manuel, Ananias, Duarte, Calbo, Joaquín, Ortí, Enrique, Illescas Martínez, Beatriz María, Clemente-León, Miguel, Martín León, Nazario, Coronado, Eugenio
Format: article
Publication Date:2021
Country:España
Institution:Universidad Complutense de Madrid (UCM)
Repository:Docta Complutense
Language:English
OAI Identifier:oai:docta.ucm.es:20.500.14352/92809
Online Access:https://hdl.handle.net/20.500.14352/92809
Access Level:Open access
Keyword:547
Química orgánica (Química)
2306 Química Orgánica
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spelling Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover moleculesPalacios-Corella, MarioRamos-Soriano, JavierSouto, ManuelAnanias, DuarteCalbo, JoaquínOrtí, EnriqueIllescas Martínez, Beatriz MaríaClemente-León, MiguelMartín León, NazarioCoronado, Eugenio547Química orgánica (Química)2306 Química OrgánicaA family of hexakis-substituted [60]fullerene adducts endowed with the well-known tridentate 2,6-bis(pyrazol-1-yl)pyridine (bpp) ligand for spin-crossover (SCO) systems has been designed and synthesized. It has been experimentally and theoretically demonstrated that these molecular scaffolds are able to form polynuclear SCO complexes in solution. UV-vis and fluorescence spectroscopy studies have allowed monitoring of the formation of up to six Fe(II)–bpp SCO complexes. In addition, DFT calculations have been performed to model the different complexation environments and simulate their electronic properties. The complexes retain SCO properties in the solid state exhibiting both thermaland photoinduced spin transitions, as confirmed by temperature-dependent magnetic susceptibility and Raman spectroscopy measurements. The synthesis of these complexes demonstrates that [60]fullerene hexakis-adducts are excellent and versatile platforms to develop polynuclear SCO systems in which a fullerene core is surrounded by a SCO molecular shell.Royal Society of ChemistryUniversidad Complutense de Madrid20212021-01-0120212021-01-01journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/20.500.14352/92809reponame:Docta Complutenseinstname:Universidad Complutense de Madrid (UCM)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:docta.ucm.es:20.500.14352/928092026-06-02T12:44:21Z
dc.title.none.fl_str_mv Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
title Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
spellingShingle Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
Palacios-Corella, Mario
547
Química orgánica (Química)
2306 Química Orgánica
title_short Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
title_full Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
title_fullStr Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
title_full_unstemmed Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
title_sort Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules
dc.creator.none.fl_str_mv Palacios-Corella, Mario
Ramos-Soriano, Javier
Souto, Manuel
Ananias, Duarte
Calbo, Joaquín
Ortí, Enrique
Illescas Martínez, Beatriz María
Clemente-León, Miguel
Martín León, Nazario
Coronado, Eugenio
author Palacios-Corella, Mario
author_facet Palacios-Corella, Mario
Ramos-Soriano, Javier
Souto, Manuel
Ananias, Duarte
Calbo, Joaquín
Ortí, Enrique
Illescas Martínez, Beatriz María
Clemente-León, Miguel
Martín León, Nazario
Coronado, Eugenio
author_role author
author2 Ramos-Soriano, Javier
Souto, Manuel
Ananias, Duarte
Calbo, Joaquín
Ortí, Enrique
Illescas Martínez, Beatriz María
Clemente-León, Miguel
Martín León, Nazario
Coronado, Eugenio
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
Química orgánica (Química)
2306 Química Orgánica
topic 547
Química orgánica (Química)
2306 Química Orgánica
description A family of hexakis-substituted [60]fullerene adducts endowed with the well-known tridentate 2,6-bis(pyrazol-1-yl)pyridine (bpp) ligand for spin-crossover (SCO) systems has been designed and synthesized. It has been experimentally and theoretically demonstrated that these molecular scaffolds are able to form polynuclear SCO complexes in solution. UV-vis and fluorescence spectroscopy studies have allowed monitoring of the formation of up to six Fe(II)–bpp SCO complexes. In addition, DFT calculations have been performed to model the different complexation environments and simulate their electronic properties. The complexes retain SCO properties in the solid state exhibiting both thermaland photoinduced spin transitions, as confirmed by temperature-dependent magnetic susceptibility and Raman spectroscopy measurements. The synthesis of these complexes demonstrates that [60]fullerene hexakis-adducts are excellent and versatile platforms to develop polynuclear SCO systems in which a fullerene core is surrounded by a SCO molecular shell.
publishDate 2021
dc.date.none.fl_str_mv 2021
2021-01-01
2021
2021-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/20.500.14352/92809
url https://hdl.handle.net/20.500.14352/92809
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 Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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
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score 15.223283

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