Magnetic properties of vanadium(IV)-based extended systems: [(VO)3(l-PO4)2(2,20-bpy)(l-OH2)] 1/3H2O and (VO)2H4P2O9
Author
dc.contributor.author
Venegas Yazigi, Diego
Author
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Muñoz, K.
es_CL
Author
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Saldías, Marianela
es_CL
Author
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Valdés de la Barra, K.
es_CL
Author
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Vega, Andrés
es_CL
Author
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Paredes García, Verónica
es_CL
Author
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Gómez García, Carlos J.
es_CL
Author
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Le Fur, E.
es_CL
Author
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Cañón Mancisidor, Walter Alberto
es_CL
Author
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Spodine Spiridonova, Evgenia
es_CL
Admission date
dc.date.accessioned
2014-01-24T14:28:34Z
Available date
dc.date.available
2014-01-24T14:28:34Z
Publication date
dc.date.issued
2013
Cita de ítem
dc.identifier.citation
Inorganica Chimica Acta 395 (2013) 176–180
en_US
Identifier
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https://repositorio.uchile.cl/handle/2250/126277
General note
dc.description
Artículo de publicación ISI
en_US
Abstract
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The magnetic properties of [(VO)3(l-PO4)2(2,20-bpy)(l-OH2)]1/3H2O (1) and (VO)2H4P2O9 (2), a tubular
and a layered vanadium(IV) phosphates containing triply oxido bridged VIV dimers, are analyzed
considering the Bleaney–Bowers S = 1/2 dimer model. In compound 1 the presence of an additional VIV
connected with the VIV dimers through l1,2-PO4
3 bridges is described with a Curie–Weiss type correction.
This model reproduces the magnetic properties of compound 1 with g = 1.956, Jdim = 102.1 cm 1,
h = 0.4 cm 1 and Na = 278 10 6 emu mol 1. In compound 2, the presence of a small percentage of
paramagnetic impurity has to be considered to account for the divergence of vm at low temperatures.
This simple model reproduces the magnetic data of compound 2 with g = 1.99, J = 62.4 cm 1 and a
1.2% of monomeric impurity. The moderate antiferromagnetic coupling found in the triply oxido bridges
VIV dimers is justified from the structural parameters of the bridge. These studies confirm that the coupling
through –O–P–O– bridges is antiferromagnetic and relatively weak, as well as previous magnetostructural
correlations in this kind of oxido bridges. DFT calculations on a dinuclear fragment model
for the two systems gave the following values of Jcalc = 72.4 cm 1 for 1 and Jcalc = 5.2 cm 1 for 2. These
values reproduce the antiferromagnetic nature of the superexchange interactions between the VIV
centers.