Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+

Two new heterometallic MnIV−M2+ compounds with formula [Mn6M2O9(4-tBuC6H4COO)10(4-tBuC6H4COOH)5] (M = Ca2+ (1), Sr2+ (2)) have been crystallized. The core of both compounds consists of a planar Mn6 ring, where the MnIV ions are alternatively bridged by (μ3-O)2(μ-RCOO) and (μ4-O)(μ-RCOO)2 ligands, an...

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Autores: Escriche Tur, Luis, Jover Modrego, Jesús, Font Bardia, Ma. Mercedes, Aullón López, Gabriel, Corbella i Cordomí, Montserrat
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2015
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/165330
Acceso en línea:https://hdl.handle.net/2445/165330
Access Level:acceso abierto
Palabra clave:Propietats magnètiques
Metalls de transició
Lligands
Ions
Magnetic properties
Transition metals
Ligands
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spelling Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+Escriche Tur, LuisJover Modrego, JesúsFont Bardia, Ma. MercedesAullón López, GabrielCorbella i Cordomí, MontserratPropietats magnètiquesMetalls de transicióLligandsIonsMagnetic propertiesTransition metalsLigandsIonsTwo new heterometallic MnIV−M2+ compounds with formula [Mn6M2O9(4-tBuC6H4COO)10(4-tBuC6H4COOH)5] (M = Ca2+ (1), Sr2+ (2)) have been crystallized. The core of both compounds consists of a planar Mn6 ring, where the MnIV ions are alternatively bridged by (μ3-O)2(μ-RCOO) and (μ4-O)(μ-RCOO)2 ligands, and the two alkaline earth ions are located to both sides of the wheel, linked to the oxo bridges, generating three fused [Mn2M2O4]4+ cuboids. These compounds show a net antiferromagnetic behavior, more important for 2 (Sr2+) than for 1 (Ca2+). The fitting of the experimental data was performed with the support of DFT calculations, considering four different exchange pathways: two between adjacent MnIV ions (J1 and J2) and two between nonadjacent MnIV ions (J3 and J4). The results of the analysis show that J1 and J2 are of the opposite sign, the ferromagnetic contribution corresponding to the [Mn2(μ4- O)(μ-RCOO)2]4+ unit (J2). The influence of the M2+ ions in the magnetic behavior is analyzed for 1 and 2 and for three hypothetical models with the structural parameters of 1 containing Mg2+, Sr2+ or without the M2+ ions. In spite of the diamagnetic character of the alkaline earth ions, their influence on the magnetic behavior has been evidenced and correlated with their polarizing effect. Moreover, the magnetic interactions between nonadjacent ions are non-negligible.American Chemical Society2020202020152020info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersion32 p.application/pdfhttps://hdl.handle.net/2445/165330Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésVersió postprint del document publicat a: https://doi.org/10.1021/acs.inorgchem.5b02131Inorganic Chemistry, 2015, vol. 54, num. 24, p. 11596-11605https://doi.org/10.1021/acs.inorgchem.5b02131(c) American Chemical Society , 2015info:eu-repo/semantics/openAccessoai:recercat.cat:2445/1653302026-05-29T05:05:01Z
dc.title.none.fl_str_mv Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
title Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
spellingShingle Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
Escriche Tur, Luis
Propietats magnètiques
Metalls de transició
Lligands
Ions
Magnetic properties
Transition metals
Ligands
Ions
title_short Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
title_full Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
title_fullStr Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
title_full_unstemmed Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
title_sort Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+
dc.creator.none.fl_str_mv Escriche Tur, Luis
Jover Modrego, Jesús
Font Bardia, Ma. Mercedes
Aullón López, Gabriel
Corbella i Cordomí, Montserrat
author Escriche Tur, Luis
author_facet Escriche Tur, Luis
Jover Modrego, Jesús
Font Bardia, Ma. Mercedes
Aullón López, Gabriel
Corbella i Cordomí, Montserrat
author_role author
author2 Jover Modrego, Jesús
Font Bardia, Ma. Mercedes
Aullón López, Gabriel
Corbella i Cordomí, Montserrat
author2_role author
author
author
author
dc.subject.none.fl_str_mv Propietats magnètiques
Metalls de transició
Lligands
Ions
Magnetic properties
Transition metals
Ligands
Ions
topic Propietats magnètiques
Metalls de transició
Lligands
Ions
Magnetic properties
Transition metals
Ligands
Ions
description Two new heterometallic MnIV−M2+ compounds with formula [Mn6M2O9(4-tBuC6H4COO)10(4-tBuC6H4COOH)5] (M = Ca2+ (1), Sr2+ (2)) have been crystallized. The core of both compounds consists of a planar Mn6 ring, where the MnIV ions are alternatively bridged by (μ3-O)2(μ-RCOO) and (μ4-O)(μ-RCOO)2 ligands, and the two alkaline earth ions are located to both sides of the wheel, linked to the oxo bridges, generating three fused [Mn2M2O4]4+ cuboids. These compounds show a net antiferromagnetic behavior, more important for 2 (Sr2+) than for 1 (Ca2+). The fitting of the experimental data was performed with the support of DFT calculations, considering four different exchange pathways: two between adjacent MnIV ions (J1 and J2) and two between nonadjacent MnIV ions (J3 and J4). The results of the analysis show that J1 and J2 are of the opposite sign, the ferromagnetic contribution corresponding to the [Mn2(μ4- O)(μ-RCOO)2]4+ unit (J2). The influence of the M2+ ions in the magnetic behavior is analyzed for 1 and 2 and for three hypothetical models with the structural parameters of 1 containing Mg2+, Sr2+ or without the M2+ ions. In spite of the diamagnetic character of the alkaline earth ions, their influence on the magnetic behavior has been evidenced and correlated with their polarizing effect. Moreover, the magnetic interactions between nonadjacent ions are non-negligible.
publishDate 2015
dc.date.none.fl_str_mv 2015
2020
2020
2020
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/165330
url https://hdl.handle.net/2445/165330
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a: https://doi.org/10.1021/acs.inorgchem.5b02131
Inorganic Chemistry, 2015, vol. 54, num. 24, p. 11596-11605
https://doi.org/10.1021/acs.inorgchem.5b02131
dc.rights.none.fl_str_mv (c) American Chemical Society , 2015
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Chemical Society , 2015
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 32 p.
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.811543

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