The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer

Autores
Oestreicher, Víctor; Hunt, Diego; Dolle, Christian; Borovik, Paula Florencia; Jobbagy, Matias; Abellán, Gonzalo; Coronado, Eugenio
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A dramatic change in the magnetic behaviour, which solely depends on the parity of the organic linker molecules, has been found in a family of layered CoII hydroxides covalently functionalized with dicarboxylic molecules. These layered hybrid materials have been synthesized at room temperature using a one-pot procedure through the epoxide route. While hybrids connected by odd alkyl chains exhibit coercive fields (Hc) below ca. 3500 Oe and show spontaneous magnetization at temperatures (TM) below 20 K, hybrids functionalized with even alkyl chains behave as hard magnets with Hc>5500 Oe and display a TM higher than 55 K. This intriguing behaviour was studied by density functional theory with the incorporation of a Hubbard term (DFT+U) calculations, unveiling the structural subtleties underlying this observation. Indeed, the different molecular orientation exhibited by the even/odd alkyl chains, and the orientation of the covalently linked carboxylic groups modify the intensity of the magnetic coupling of both octahedral and tetrahedral in-plane sublattices, thus strongly affecting the magnetic properties of the hybrid. These findings offer an outstanding level of tuning in the molecular design of hybrid magnetic materials based on layered hydroxides.
Fil: Oestreicher, Víctor. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Fil: Hunt, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes; Argentina
Fil: Dolle, Christian. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Fil: Borovik, Paula Florencia. 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; Argentina
Fil: Jobbagy, Matias. 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; Argentina
Fil: Abellán, Gonzalo. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Fil: Coronado, Eugenio. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Materia
2D MATERIALS
DFT SIMULATIONS
HYBRID MATERIALS
LAYERED HYDROXIDES
MAGNETISM
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/146640
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic SpacerOestreicher, VíctorHunt, DiegoDolle, ChristianBorovik, Paula FlorenciaJobbagy, MatiasAbellán, GonzaloCoronado, Eugenio2D MATERIALSDFT SIMULATIONSHYBRID MATERIALSLAYERED HYDROXIDESMAGNETISMhttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2A dramatic change in the magnetic behaviour, which solely depends on the parity of the organic linker molecules, has been found in a family of layered CoII hydroxides covalently functionalized with dicarboxylic molecules. These layered hybrid materials have been synthesized at room temperature using a one-pot procedure through the epoxide route. While hybrids connected by odd alkyl chains exhibit coercive fields (Hc) below ca. 3500 Oe and show spontaneous magnetization at temperatures (TM) below 20 K, hybrids functionalized with even alkyl chains behave as hard magnets with Hc>5500 Oe and display a TM higher than 55 K. This intriguing behaviour was studied by density functional theory with the incorporation of a Hubbard term (DFT+U) calculations, unveiling the structural subtleties underlying this observation. Indeed, the different molecular orientation exhibited by the even/odd alkyl chains, and the orientation of the covalently linked carboxylic groups modify the intensity of the magnetic coupling of both octahedral and tetrahedral in-plane sublattices, thus strongly affecting the magnetic properties of the hybrid. These findings offer an outstanding level of tuning in the molecular design of hybrid magnetic materials based on layered hydroxides.Fil: Oestreicher, Víctor. Universidad de Valencia. Instituto de Ciencia Molecular.; EspañaFil: Hunt, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes; ArgentinaFil: Dolle, Christian. Universidad de Valencia. Instituto de Ciencia Molecular.; EspañaFil: Borovik, Paula Florencia. 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: Jobbagy, Matias. 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: Abellán, Gonzalo. Universidad de Valencia. Instituto de Ciencia Molecular.; EspañaFil: Coronado, Eugenio. Universidad de Valencia. Instituto de Ciencia Molecular.; EspañaWiley VCH Verlag2020-08info: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/11336/146640Oestreicher, Víctor; Hunt, Diego; Dolle, Christian; Borovik, Paula Florencia; Jobbagy, Matias; et al.; The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer; Wiley VCH Verlag; Chemistry- A European Journal; 27; 3; 8-2020; 921-9270947-6539CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.202003593info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202003593info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:53:33Zoai:ri.conicet.gov.ar:11336/146640instacron: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:34982025-09-29 09:53:33.306CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
title The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
spellingShingle The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
Oestreicher, Víctor
2D MATERIALS
DFT SIMULATIONS
HYBRID MATERIALS
LAYERED HYDROXIDES
MAGNETISM
title_short The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
title_full The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
title_fullStr The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
title_full_unstemmed The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
title_sort The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
dc.creator.none.fl_str_mv Oestreicher, Víctor
Hunt, Diego
Dolle, Christian
Borovik, Paula Florencia
Jobbagy, Matias
Abellán, Gonzalo
Coronado, Eugenio
author Oestreicher, Víctor
author_facet Oestreicher, Víctor
Hunt, Diego
Dolle, Christian
Borovik, Paula Florencia
Jobbagy, Matias
Abellán, Gonzalo
Coronado, Eugenio
author_role author
author2 Hunt, Diego
Dolle, Christian
Borovik, Paula Florencia
Jobbagy, Matias
Abellán, Gonzalo
Coronado, Eugenio
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv 2D MATERIALS
DFT SIMULATIONS
HYBRID MATERIALS
LAYERED HYDROXIDES
MAGNETISM
topic 2D MATERIALS
DFT SIMULATIONS
HYBRID MATERIALS
LAYERED HYDROXIDES
MAGNETISM
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv A dramatic change in the magnetic behaviour, which solely depends on the parity of the organic linker molecules, has been found in a family of layered CoII hydroxides covalently functionalized with dicarboxylic molecules. These layered hybrid materials have been synthesized at room temperature using a one-pot procedure through the epoxide route. While hybrids connected by odd alkyl chains exhibit coercive fields (Hc) below ca. 3500 Oe and show spontaneous magnetization at temperatures (TM) below 20 K, hybrids functionalized with even alkyl chains behave as hard magnets with Hc>5500 Oe and display a TM higher than 55 K. This intriguing behaviour was studied by density functional theory with the incorporation of a Hubbard term (DFT+U) calculations, unveiling the structural subtleties underlying this observation. Indeed, the different molecular orientation exhibited by the even/odd alkyl chains, and the orientation of the covalently linked carboxylic groups modify the intensity of the magnetic coupling of both octahedral and tetrahedral in-plane sublattices, thus strongly affecting the magnetic properties of the hybrid. These findings offer an outstanding level of tuning in the molecular design of hybrid magnetic materials based on layered hydroxides.
Fil: Oestreicher, Víctor. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Fil: Hunt, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes; Argentina
Fil: Dolle, Christian. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Fil: Borovik, Paula Florencia. 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; Argentina
Fil: Jobbagy, Matias. 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; Argentina
Fil: Abellán, Gonzalo. Universidad de Valencia. Instituto de Ciencia Molecular.; España
Fil: Coronado, Eugenio. Universidad de Valencia. Instituto de Ciencia Molecular.; España
description A dramatic change in the magnetic behaviour, which solely depends on the parity of the organic linker molecules, has been found in a family of layered CoII hydroxides covalently functionalized with dicarboxylic molecules. These layered hybrid materials have been synthesized at room temperature using a one-pot procedure through the epoxide route. While hybrids connected by odd alkyl chains exhibit coercive fields (Hc) below ca. 3500 Oe and show spontaneous magnetization at temperatures (TM) below 20 K, hybrids functionalized with even alkyl chains behave as hard magnets with Hc>5500 Oe and display a TM higher than 55 K. This intriguing behaviour was studied by density functional theory with the incorporation of a Hubbard term (DFT+U) calculations, unveiling the structural subtleties underlying this observation. Indeed, the different molecular orientation exhibited by the even/odd alkyl chains, and the orientation of the covalently linked carboxylic groups modify the intensity of the magnetic coupling of both octahedral and tetrahedral in-plane sublattices, thus strongly affecting the magnetic properties of the hybrid. These findings offer an outstanding level of tuning in the molecular design of hybrid magnetic materials based on layered hydroxides.
publishDate 2020
dc.date.none.fl_str_mv 2020-08
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/11336/146640
Oestreicher, Víctor; Hunt, Diego; Dolle, Christian; Borovik, Paula Florencia; Jobbagy, Matias; et al.; The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer; Wiley VCH Verlag; Chemistry- A European Journal; 27; 3; 8-2020; 921-927
0947-6539
CONICET Digital
CONICET
url http://hdl.handle.net/11336/146640
identifier_str_mv Oestreicher, Víctor; Hunt, Diego; Dolle, Christian; Borovik, Paula Florencia; Jobbagy, Matias; et al.; The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer; Wiley VCH Verlag; Chemistry- A European Journal; 27; 3; 8-2020; 921-927
0947-6539
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.202003593
info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202003593
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
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 13.070432

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