Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds

The MnIJIII) dinuclear compounds [{MnIJbpy)IJH2O)}IJμ-2,6-Cl2C6H3COO)2IJμ-O){MnIJbpy)IJX)}]X, where X = ClO4 (1) or X = NO3 (2), were synthesised and characterised by X-ray diffraction spectroscopy. In both cases there were hydrogen bond interactions between the aqua ligand and counteranions, but with diff...

ver descrição completa

Detalhes bibliográficos
Autores: Pagès Casas, Josep M., Escriche Tur, Luis, Font Bardia, Ma. Mercedes, Aullón López, Gabriel, Corbella i Cordomí, Montserrat
Tipo de documento: artigo
Estado:Versión aceptada para publicación
Data de publicação:2018
País:España
Recursos:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositório:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/162901
Acesso em linha:https://hdl.handle.net/2445/162901
Access Level:Acceso aberto
Palavra-chave:Cristal·lografia
Manganès
Magnetisme
Crystallography
Manganese
Magnetism
id ES_164491c3c7ea06a3bfcfa1653619e7d3
oai_identifier_str oai:recercat.cat:2445/162901
network_acronym_str ES
network_name_str España
repository_id_str
spelling Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) CompoundsPagès Casas, Josep M.Escriche Tur, LuisFont Bardia, Ma. MercedesAullón López, GabrielCorbella i Cordomí, MontserratCristal·lografiaManganèsMagnetismeCrystallographyManganeseMagnetismThe MnIJIII) dinuclear compounds [{MnIJbpy)IJH2O)}IJμ-2,6-Cl2C6H3COO)2IJμ-O){MnIJbpy)IJX)}]X, where X = ClO4 (1) or X = NO3 (2), were synthesised and characterised by X-ray diffraction spectroscopy. In both cases there were hydrogen bond interactions between the aqua ligand and counteranions, but with different connectivity patterns. For compound 1, the interactions connected two dinuclear complexes through two perchlorate counteranions to generate a tetranuclear unit. For compound 2, the hydrogen bond was 'intramolecular' between the cationic complex, nitrate counteranion and crystallization water (Mn-LW⋯NO3 −⋯H2O⋯LN-Mn). This unusual interaction was responsible for the perfect orthogonality of the coordination octahedra on the dinuclear entity and noticeable elongation of these polyedra. Both compounds showed antiferromagnetic coupling, which was unusually strong for compound 2 with a nitrate anion (J = −9.2 and −27.3 cm−1 for 1 and 2, respectively) (H = −J·S1·S2). The effect of the counteranion (X) on the magnetic interaction was analysed by density functional theory studies. For both compounds, hydrogen bonds between the aqua ligand and counteranions weakened the antiferromagnetic interaction. Moreover, for 2, replacement of the counteranion nitrate with other groups had a significant effect on the magnetic interaction.Royal Society of Chemistry2020202020182020info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersion36 p.application/pdfhttps://hdl.handle.net/2445/162901Articles 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/10.1039/c8ce01194jCrystengcomm, 2018, vol. 20, p. 6629-6639https://doi.org/10.1039/c8ce01194j(c) Pagès Casas, Josep M. et al., 2018info:eu-repo/semantics/openAccessoai:recercat.cat:2445/1629012026-05-29T05:05:01Z
dc.title.none.fl_str_mv Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
title Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
spellingShingle Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
Pagès Casas, Josep M.
Cristal·lografia
Manganès
Magnetisme
Crystallography
Manganese
Magnetism
title_short Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
title_full Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
title_fullStr Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
title_full_unstemmed Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
title_sort Indirect Effect of the Hydrogen Bonds on the Magnetic Coupling on Dinuclear Mn(III) Compounds
dc.creator.none.fl_str_mv Pagès Casas, Josep M.
Escriche Tur, Luis
Font Bardia, Ma. Mercedes
Aullón López, Gabriel
Corbella i Cordomí, Montserrat
author Pagès Casas, Josep M.
author_facet Pagès Casas, Josep M.
Escriche Tur, Luis
Font Bardia, Ma. Mercedes
Aullón López, Gabriel
Corbella i Cordomí, Montserrat
author_role author
author2 Escriche Tur, Luis
Font Bardia, Ma. Mercedes
Aullón López, Gabriel
Corbella i Cordomí, Montserrat
author2_role author
author
author
author
dc.subject.none.fl_str_mv Cristal·lografia
Manganès
Magnetisme
Crystallography
Manganese
Magnetism
topic Cristal·lografia
Manganès
Magnetisme
Crystallography
Manganese
Magnetism
description The MnIJIII) dinuclear compounds [{MnIJbpy)IJH2O)}IJμ-2,6-Cl2C6H3COO)2IJμ-O){MnIJbpy)IJX)}]X, where X = ClO4 (1) or X = NO3 (2), were synthesised and characterised by X-ray diffraction spectroscopy. In both cases there were hydrogen bond interactions between the aqua ligand and counteranions, but with different connectivity patterns. For compound 1, the interactions connected two dinuclear complexes through two perchlorate counteranions to generate a tetranuclear unit. For compound 2, the hydrogen bond was 'intramolecular' between the cationic complex, nitrate counteranion and crystallization water (Mn-LW⋯NO3 −⋯H2O⋯LN-Mn). This unusual interaction was responsible for the perfect orthogonality of the coordination octahedra on the dinuclear entity and noticeable elongation of these polyedra. Both compounds showed antiferromagnetic coupling, which was unusually strong for compound 2 with a nitrate anion (J = −9.2 and −27.3 cm−1 for 1 and 2, respectively) (H = −J·S1·S2). The effect of the counteranion (X) on the magnetic interaction was analysed by density functional theory studies. For both compounds, hydrogen bonds between the aqua ligand and counteranions weakened the antiferromagnetic interaction. Moreover, for 2, replacement of the counteranion nitrate with other groups had a significant effect on the magnetic interaction.
publishDate 2018
dc.date.none.fl_str_mv 2018
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/2445/162901
url https://hdl.handle.net/2445/162901
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/c8ce01194j
Crystengcomm, 2018, vol. 20, p. 6629-6639
https://doi.org/10.1039/c8ce01194j
dc.rights.none.fl_str_mv (c) Pagès Casas, Josep M. et al., 2018
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Pagès Casas, Josep M. et al., 2018
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 36 p.
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 (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
_version_ 1869403846124503040
score 15,811543

Registros relacionados