Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology

Reaction between [Co2(μ-OH2)(μ-Piv) 2(Piv)2(HPiv)4] and a (salicylidene) ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII2CoII4(Piv) 8(HPiv)2(L)2(OH)2] (1-2). Both products have been characterized crystallographically and found to be mixed-valent, containin...

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Detalles Bibliográficos
Autor principal: Albores, Pablo
Publicado: 2012
Materias:
Cobalt polynuclear complexes
Crystal structure
DFT calculations
Ferromagnetic
Magnetic properties
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02775387_v31_n1_p779_Lazzarini
http://hdl.handle.net/20.500.12110/paper_02775387_v31_n1_p779_Lazzarini
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_02775387_v31_n1_p779_Lazzarini
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spelling paper:paper_02775387_v31_n1_p779_Lazzarini2023-06-08T15:26:05Z Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology Albores, Pablo Cobalt polynuclear complexes Crystal structure DFT calculations Ferromagnetic Magnetic properties Reaction between [Co2(μ-OH2)(μ-Piv) 2(Piv)2(HPiv)4] and a (salicylidene) ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII2CoII4(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 S̃=1/2Kramers 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. © 2011 Elsevier Ltd. All rights reserved. Fil:Alborés, P. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2012 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02775387_v31_n1_p779_Lazzarini http://hdl.handle.net/20.500.12110/paper_02775387_v31_n1_p779_Lazzarini
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Cobalt polynuclear complexes
Crystal structure
DFT calculations
Ferromagnetic
Magnetic properties
spellingShingle Cobalt polynuclear complexes
Crystal structure
DFT calculations
Ferromagnetic
Magnetic properties
Albores, Pablo
Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology
topic_facet Cobalt polynuclear complexes
Crystal structure
DFT calculations
Ferromagnetic
Magnetic properties
description Reaction between [Co2(μ-OH2)(μ-Piv) 2(Piv)2(HPiv)4] and a (salicylidene) ethanolamine ligand under ambient reaction conditions, affords hexanuclear complexes [CoIII2CoII4(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 S̃=1/2Kramers 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. © 2011 Elsevier Ltd. All rights reserved.
author Albores, Pablo
author_facet Albores, Pablo
author_sort Albores, Pablo
title Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology
title_short Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology
title_full Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology
title_fullStr Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology
title_full_unstemmed Exploring the exchange interaction in a mixed valence {CoII 4CoIII2} hexanuclear cluster with novel topology
title_sort exploring the exchange interaction in a mixed valence {coii 4coiii2} hexanuclear cluster with novel topology
publishDate 2012
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02775387_v31_n1_p779_Lazzarini
http://hdl.handle.net/20.500.12110/paper_02775387_v31_n1_p779_Lazzarini
work_keys_str_mv AT alborespablo exploringtheexchangeinteractioninamixedvalencecoii4coiii2hexanuclearclusterwithnoveltopology
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