Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology

Autores
Lazzarini, Irene C.; Carrella, Luca; Rentschler, Eva; Alborés, Pablo
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Reaction between [Co2(l-OH2)(l-Piv)2(Piv)2(HPiv)4] and a (salicylidene)ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII 2CoII 4(Piv)8(HPiv)2(L)2(OH)2] (1–2). Both products have been characterized crystallographically and found to be mixed-valent, containing divalent and trivalent Co centers. Down to 30 K, the variable-temperature magnetic susceptibility data are dominated by the single-ion properties of high spin Co(II) centers with distorted-octahedral coordination geometries. Below this temperature, the effect of intramolecular ferromagnetic exchange interactions becomes apparent. Magnetic data has been analyzed in terms of ground isolated effective ~S ¼ 1=2 Kramers doublets where low temperature magnetization data suggests an anisotropic behavior. We have also employed DFT-broken symmetry calculations to evaluate in an isotropic approach the exchange interaction pathways.
Fil: Lazzarini, Irene C.. 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: Carrella, Luca. Johannes Gutenberg Universitat Mainz; Alemania
Fil: Rentschler, Eva. Johannes Gutenberg Universitat Mainz; Alemania
Fil: Alborés, 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; Argentina
Materia
Cobalt polynuclear complexes
Magnetic properties
DFT calculations
Ferromagnetic
Crystal structure
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/268592
Acceder
id CONICETDig_4bd22a69193aa8c70382d5b771be4810
oai_identifier_str oai:ri.conicet.gov.ar:11336/268592
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topologyLazzarini, Irene C.Carrella, LucaRentschler, EvaAlborés, PabloCobalt polynuclear complexesMagnetic propertiesDFT calculationsFerromagneticCrystal structurehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Reaction between [Co2(l-OH2)(l-Piv)2(Piv)2(HPiv)4] and a (salicylidene)ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII 2CoII 4(Piv)8(HPiv)2(L)2(OH)2] (1–2). Both products have been characterized crystallographically and found to be mixed-valent, containing divalent and trivalent Co centers. Down to 30 K, the variable-temperature magnetic susceptibility data are dominated by the single-ion properties of high spin Co(II) centers with distorted-octahedral coordination geometries. Below this temperature, the effect of intramolecular ferromagnetic exchange interactions becomes apparent. Magnetic data has been analyzed in terms of ground isolated effective ~S ¼ 1=2 Kramers doublets where low temperature magnetization data suggests an anisotropic behavior. We have also employed DFT-broken symmetry calculations to evaluate in an isotropic approach the exchange interaction pathways.Fil: Lazzarini, Irene C.. 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: Carrella, Luca. Johannes Gutenberg Universitat Mainz; AlemaniaFil: Rentschler, Eva. Johannes Gutenberg Universitat Mainz; AlemaniaFil: Alborés, 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; ArgentinaPergamon-Elsevier Science Ltd2012-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/268592Lazzarini, Irene C.; Carrella, Luca; Rentschler, Eva; Alborés, Pablo; Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology; Pergamon-Elsevier Science Ltd; Polyhedron; 31; 1; 1-2012; 779-7880277-5387CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0277538711006711info:eu-repo/semantics/altIdentifier/doi/10.1016/j.poly.2011.11.002info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:20:40Zoai:ri.conicet.gov.ar:11336/268592instacron: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:34982025-10-22 12:20:40.541CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
title Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
spellingShingle Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
Lazzarini, Irene C.
Cobalt polynuclear complexes
Magnetic properties
DFT calculations
Ferromagnetic
Crystal structure
title_short Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
title_full Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
title_fullStr Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
title_full_unstemmed Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
title_sort Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology
dc.creator.none.fl_str_mv Lazzarini, Irene C.
Carrella, Luca
Rentschler, Eva
Alborés, Pablo
author Lazzarini, Irene C.
author_facet Lazzarini, Irene C.
Carrella, Luca
Rentschler, Eva
Alborés, Pablo
author_role author
author2 Carrella, Luca
Rentschler, Eva
Alborés, Pablo
author2_role author
author
author
dc.subject.none.fl_str_mv Cobalt polynuclear complexes
Magnetic properties
DFT calculations
Ferromagnetic
Crystal structure
topic Cobalt polynuclear complexes
Magnetic properties
DFT calculations
Ferromagnetic
Crystal structure
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Reaction between [Co2(l-OH2)(l-Piv)2(Piv)2(HPiv)4] and a (salicylidene)ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII 2CoII 4(Piv)8(HPiv)2(L)2(OH)2] (1–2). Both products have been characterized crystallographically and found to be mixed-valent, containing divalent and trivalent Co centers. Down to 30 K, the variable-temperature magnetic susceptibility data are dominated by the single-ion properties of high spin Co(II) centers with distorted-octahedral coordination geometries. Below this temperature, the effect of intramolecular ferromagnetic exchange interactions becomes apparent. Magnetic data has been analyzed in terms of ground isolated effective ~S ¼ 1=2 Kramers doublets where low temperature magnetization data suggests an anisotropic behavior. We have also employed DFT-broken symmetry calculations to evaluate in an isotropic approach the exchange interaction pathways.
Fil: Lazzarini, Irene C.. 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: Carrella, Luca. Johannes Gutenberg Universitat Mainz; Alemania
Fil: Rentschler, Eva. Johannes Gutenberg Universitat Mainz; Alemania
Fil: Alborés, 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; Argentina
description Reaction between [Co2(l-OH2)(l-Piv)2(Piv)2(HPiv)4] and a (salicylidene)ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII 2CoII 4(Piv)8(HPiv)2(L)2(OH)2] (1–2). Both products have been characterized crystallographically and found to be mixed-valent, containing divalent and trivalent Co centers. Down to 30 K, the variable-temperature magnetic susceptibility data are dominated by the single-ion properties of high spin Co(II) centers with distorted-octahedral coordination geometries. Below this temperature, the effect of intramolecular ferromagnetic exchange interactions becomes apparent. Magnetic data has been analyzed in terms of ground isolated effective ~S ¼ 1=2 Kramers doublets where low temperature magnetization data suggests an anisotropic behavior. We have also employed DFT-broken symmetry calculations to evaluate in an isotropic approach the exchange interaction pathways.
publishDate 2012
dc.date.none.fl_str_mv 2012-01
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/11336/268592
Lazzarini, Irene C.; Carrella, Luca; Rentschler, Eva; Alborés, Pablo; Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology; Pergamon-Elsevier Science Ltd; Polyhedron; 31; 1; 1-2012; 779-788
0277-5387
CONICET Digital
CONICET
url http://hdl.handle.net/11336/268592
identifier_str_mv Lazzarini, Irene C.; Carrella, Luca; Rentschler, Eva; Alborés, Pablo; Exploring the exchange interaction in a mixed valence {CoII4CoIII2} hexanuclear cluster with novel topology; Pergamon-Elsevier Science Ltd; Polyhedron; 31; 1; 1-2012; 779-788
0277-5387
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://www.sciencedirect.com/science/article/abs/pii/S0277538711006711
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.poly.2011.11.002
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
dc.publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
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
_version_ 1846782655850348544
score 12.982451

Publicaciones similares