A low spin manganese(IV) nitride single molecule magnet

Structural, spectroscopic and magnetic methods have been used to characterize the tris(carbene) borate compound PhB(MesIm)(3)Mn equivalent to N as a four-coordinate manganese(IV) complex with a low spin (S = 1/2) configuration. The slow relaxation of the magnetization in this complex, i.e. its singl...

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Autores: Ding, Mei, Cutsail, George E. IIIiii, Aravena Ponce, Daniel Alejandro, Amoza Dávila, Martín, Rouzières, Mathieu, Dechambenoit, Pierre, Losovyj, Yaroslav, Pink, Maren, Ruiz Sabín, Eliseo, Clérac, Rodolphe, Smith, Jeremy M.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2016
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/154600
Acceso en línea:https://hdl.handle.net/2445/154600
Access Level:acceso abierto
Palabra clave:Anisotropia
Imants
Teoria quàntica
Anisotropy
Magnets
Quantum theory
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spelling A low spin manganese(IV) nitride single molecule magnetDing, MeiCutsail, George E. IIIiiiAravena Ponce, Daniel AlejandroAmoza Dávila, MartínRouzières, MathieuDechambenoit, PierreLosovyj, YaroslavPink, MarenRuiz Sabín, EliseoClérac, RodolpheSmith, Jeremy M.AnisotropiaImantsTeoria quànticaAnisotropyMagnetsQuantum theoryStructural, spectroscopic and magnetic methods have been used to characterize the tris(carbene) borate compound PhB(MesIm)(3)Mn equivalent to N as a four-coordinate manganese(IV) complex with a low spin (S = 1/2) configuration. The slow relaxation of the magnetization in this complex, i.e. its single-molecule magnet (SMM) properties, is revealed under an applied dc field. Multireference quantum mechanical calculations indicate that this SMM behavior originates from an anisotropic ground doublet stabilized by spin-orbit coupling. Consistent theoretical and experiment data show that the resulting magnetization dynamics in this system is dominated by ground state quantum tunneling, while its temperature dependence is influenced by Raman relaxation.Royal Society of Chemistry2016info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/154600Articles 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/c6sc01469kChemical Science, 2016, vol. 7, num. 9, p. 6132-6140https://doi.org/10.1039/c6sc01469k(c) Ding, Mei et al., 2016info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1546002026-05-27T06:46:51Z
dc.title.none.fl_str_mv A low spin manganese(IV) nitride single molecule magnet
title A low spin manganese(IV) nitride single molecule magnet
spellingShingle A low spin manganese(IV) nitride single molecule magnet
Ding, Mei
Anisotropia
Imants
Teoria quàntica
Anisotropy
Magnets
Quantum theory
title_short A low spin manganese(IV) nitride single molecule magnet
title_full A low spin manganese(IV) nitride single molecule magnet
title_fullStr A low spin manganese(IV) nitride single molecule magnet
title_full_unstemmed A low spin manganese(IV) nitride single molecule magnet
title_sort A low spin manganese(IV) nitride single molecule magnet
dc.creator.none.fl_str_mv Ding, Mei
Cutsail, George E. IIIiii
Aravena Ponce, Daniel Alejandro
Amoza Dávila, Martín
Rouzières, Mathieu
Dechambenoit, Pierre
Losovyj, Yaroslav
Pink, Maren
Ruiz Sabín, Eliseo
Clérac, Rodolphe
Smith, Jeremy M.
author Ding, Mei
author_facet Ding, Mei
Cutsail, George E. IIIiii
Aravena Ponce, Daniel Alejandro
Amoza Dávila, Martín
Rouzières, Mathieu
Dechambenoit, Pierre
Losovyj, Yaroslav
Pink, Maren
Ruiz Sabín, Eliseo
Clérac, Rodolphe
Smith, Jeremy M.
author_role author
author2 Cutsail, George E. IIIiii
Aravena Ponce, Daniel Alejandro
Amoza Dávila, Martín
Rouzières, Mathieu
Dechambenoit, Pierre
Losovyj, Yaroslav
Pink, Maren
Ruiz Sabín, Eliseo
Clérac, Rodolphe
Smith, Jeremy M.
author2_role author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Anisotropia
Imants
Teoria quàntica
Anisotropy
Magnets
Quantum theory
topic Anisotropia
Imants
Teoria quàntica
Anisotropy
Magnets
Quantum theory
description Structural, spectroscopic and magnetic methods have been used to characterize the tris(carbene) borate compound PhB(MesIm)(3)Mn equivalent to N as a four-coordinate manganese(IV) complex with a low spin (S = 1/2) configuration. The slow relaxation of the magnetization in this complex, i.e. its single-molecule magnet (SMM) properties, is revealed under an applied dc field. Multireference quantum mechanical calculations indicate that this SMM behavior originates from an anisotropic ground doublet stabilized by spin-orbit coupling. Consistent theoretical and experiment data show that the resulting magnetization dynamics in this system is dominated by ground state quantum tunneling, while its temperature dependence is influenced by Raman relaxation.
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/2445/154600
url https://hdl.handle.net/2445/154600
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/c6sc01469k
Chemical Science, 2016, vol. 7, num. 9, p. 6132-6140
https://doi.org/10.1039/c6sc01469k
dc.rights.none.fl_str_mv (c) Ding, Mei et al., 2016
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Ding, Mei et al., 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 15,301603

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