Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks

The design of new polynuclear transition metal complexes showing large total spin values through parallel alignment of the spins is an important challenge due to the scarcity of bridging ligands that provide ferromagnetic coupling. Herein, we report two new complexes, a [(Mn4Mn2III)-Mn-II] system co...

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Autores: Cirera Fernández, Jordi, Jiang, Yuan, Qin, Lei, Zheng, Yan-Zhen, Li, Guanghua, Wu, Gang, Ruiz Sabín, Eliseo
Formato: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2016
País:España
Recursos:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/154607
Acesso em linha:https://hdl.handle.net/2445/154607
Access Level:acceso abierto
Palavra-chave:Lligands
Propietats magnètiques
Teoria del funcional de densitat
Ferromagnetisme
Ligands
Magnetic properties
Density functionals
Ferromagnetism
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spelling Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocksCirera Fernández, JordiJiang, YuanQin, LeiZheng, Yan-ZhenLi, GuanghuaWu, GangRuiz Sabín, EliseoLligandsPropietats magnètiquesTeoria del funcional de densitatFerromagnetismeLigandsMagnetic propertiesDensity functionalsFerromagnetismThe design of new polynuclear transition metal complexes showing large total spin values through parallel alignment of the spins is an important challenge due to the scarcity of bridging ligands that provide ferromagnetic coupling. Herein, we report two new complexes, a [(Mn4Mn2III)-Mn-II] system containing two non-linear [(Mn2MnIII)-Mn-II] units and a 1D chain system with [(Mn2MnIII)-Mn-II] units that are assembled through dicyanamide bridging ligands coordinated to one of the terminal Mn-II centers. In both cases, the main exchange interaction is between Mn-II center dot center dot center dot Mn-III, showing a relatively strong ferromagnetic coupling. Density functional theory calculations corroborate such ferromagnetic interactions and also provide one magnetostructural correlation, showing that larger Mn-II-O-Mn-III angles enhance the strength of the ferromagnetic coupling. Thus, the non-linear [(Mn2MnIII)-Mn-II] units present in these two complexes are specially suited because of their larger Mn-II-O-Mn-III angles compared to similar previously reported systems containing a linear [(Mn2MnIII)-Mn-II] unit.Royal Society of Chemistry2016info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/154607Articles publicats en revistes (Química Inorgànica i Orgànica)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésVersió postprint del document publicat a: https://doi.org/10.1039/c6qi00189kInorganic Chemistry Frontiers, 2016, vol. 3, num. 10, p. 1272-1279https://doi.org/10.1039/c6qi00189k(c) Royal Society of Chemistry, 2016info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1546072026-05-27T06:46:51Z
dc.title.none.fl_str_mv Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
title Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
spellingShingle Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
Cirera Fernández, Jordi
Lligands
Propietats magnètiques
Teoria del funcional de densitat
Ferromagnetisme
Ligands
Magnetic properties
Density functionals
Ferromagnetism
title_short Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
title_full Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
title_fullStr Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
title_full_unstemmed Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
title_sort Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks
dc.creator.none.fl_str_mv Cirera Fernández, Jordi
Jiang, Yuan
Qin, Lei
Zheng, Yan-Zhen
Li, Guanghua
Wu, Gang
Ruiz Sabín, Eliseo
author Cirera Fernández, Jordi
author_facet Cirera Fernández, Jordi
Jiang, Yuan
Qin, Lei
Zheng, Yan-Zhen
Li, Guanghua
Wu, Gang
Ruiz Sabín, Eliseo
author_role author
author2 Jiang, Yuan
Qin, Lei
Zheng, Yan-Zhen
Li, Guanghua
Wu, Gang
Ruiz Sabín, Eliseo
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Lligands
Propietats magnètiques
Teoria del funcional de densitat
Ferromagnetisme
Ligands
Magnetic properties
Density functionals
Ferromagnetism
topic Lligands
Propietats magnètiques
Teoria del funcional de densitat
Ferromagnetisme
Ligands
Magnetic properties
Density functionals
Ferromagnetism
description The design of new polynuclear transition metal complexes showing large total spin values through parallel alignment of the spins is an important challenge due to the scarcity of bridging ligands that provide ferromagnetic coupling. Herein, we report two new complexes, a [(Mn4Mn2III)-Mn-II] system containing two non-linear [(Mn2MnIII)-Mn-II] units and a 1D chain system with [(Mn2MnIII)-Mn-II] units that are assembled through dicyanamide bridging ligands coordinated to one of the terminal Mn-II centers. In both cases, the main exchange interaction is between Mn-II center dot center dot center dot Mn-III, showing a relatively strong ferromagnetic coupling. Density functional theory calculations corroborate such ferromagnetic interactions and also provide one magnetostructural correlation, showing that larger Mn-II-O-Mn-III angles enhance the strength of the ferromagnetic coupling. Thus, the non-linear [(Mn2MnIII)-Mn-II] units present in these two complexes are specially suited because of their larger Mn-II-O-Mn-III angles compared to similar previously reported systems containing a linear [(Mn2MnIII)-Mn-II] unit.
publishDate 2016
dc.date.none.fl_str_mv 2016
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/2445/154607
url https://hdl.handle.net/2445/154607
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/10.1039/c6qi00189k
Inorganic Chemistry Frontiers, 2016, vol. 3, num. 10, p. 1272-1279
https://doi.org/10.1039/c6qi00189k
dc.rights.none.fl_str_mv (c) Royal Society of Chemistry, 2016
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Royal Society of Chemistry, 2016
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 Articles publicats en revistes (Química Inorgànica i Orgànica)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.300724

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