Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6] 10- polyoxometalate

Patricio Hermosilla-Ibáñez; Walter Cañon-Mancisidor; Juan Costamagna; Andrés Vega; Verónica Paredes-García; Maria Teresa Garland; Eric Le Fur; Olivier Cador; Evgenia Spodine; Diego Venegas-Yazigi

doi:10.1039/c4dt01561d

Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V₁₂B₁₈O₆₀H₆] ^10- polyoxometalate

Patricio Hermosilla-Ibáñez, Walter Cañon-Mancisidor, Juan Costamagna, Andrés Vega, Verónica Paredes-García, Maria Teresa Garland, Eric Le Fur, Olivier Cador, Evgenia Spodine, Diego Venegas-Yazigi

Exact Sciences School

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Abstract

In the present work, the synthesis and structural characterization of four new polyoxovanadoborate (BVO) frameworks based on the [V₁₂B ₁₈O₆₀H₆]^10- polyanion are reported: (NH₄)₈(1,3-diapH₂)[V₁₂B ₁₈O₆₀H₆]·5H₂O (1), K ₈(NH₄)₂[V₁₂B₁₈O ₆₀H₆]·18H₂O (2), K₁₀[V ₁₂B₁₈O₆₀H₆]·10H₂O (3) and K₈Cs₂[V₁₂B₁₈O ₆₀H₆]·10H₂O (4). A global antiferromagnetic behaviour is observed for these 10V^IV/2V ^V mixed valence clusters. The magnetic data of 1, 2 and 3, which present different countercation environments, show that 1 is more coupled than 2 and 3. DFT calculations show that the positive charges strongly influence the polarization mechanism of the spin density of the vanadyl groups and the extent of the magnetic orbitals, therefore corroborating the experimental observation of the quenching effect of the magnetic coupling between vanadium centres of 2 and 3.

Original language	English
Pages (from-to)	14132-14141
Number of pages	10
Journal	Dalton Transactions
Volume	43
Issue number	37
DOIs	https://doi.org/10.1039/c4dt01561d
Publication status	Published - 2014

ASJC Scopus subject areas

Inorganic Chemistry

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Hermosilla-Ibáñez, P., Cañon-Mancisidor, W., Costamagna, J., Vega, A., Paredes-García, V., Garland, M. T., Le Fur, E., Cador, O., Spodine, E., & Venegas-Yazigi, D. (2014). Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V₁₂B₁₈O₆₀H₆] ^10- polyoxometalate. Dalton Transactions, 43(37), 14132-14141. https://doi.org/10.1039/c4dt01561d

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title = "Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6] 10- polyoxometalate",

abstract = "In the present work, the synthesis and structural characterization of four new polyoxovanadoborate (BVO) frameworks based on the [V12B 18O60H6]10- polyanion are reported: (NH4)8(1,3-diapH2)[V12B 18O60H6]·5H2O (1), K 8(NH4)2[V12B18O 60H6]·18H2O (2), K10[V 12B18O60H6]·10H2O (3) and K8Cs2[V12B18O 60H6]·10H2O (4). A global antiferromagnetic behaviour is observed for these 10VIV/2V V mixed valence clusters. The magnetic data of 1, 2 and 3, which present different countercation environments, show that 1 is more coupled than 2 and 3. DFT calculations show that the positive charges strongly influence the polarization mechanism of the spin density of the vanadyl groups and the extent of the magnetic orbitals, therefore corroborating the experimental observation of the quenching effect of the magnetic coupling between vanadium centres of 2 and 3.",

author = "Patricio Hermosilla-Ib{\'a}{\~n}ez and Walter Ca{\~n}on-Mancisidor and Juan Costamagna and Andr{\'e}s Vega and Ver{\'o}nica Paredes-Garc{\'i}a and Garland, {Maria Teresa} and {Le Fur}, Eric and Olivier Cador and Evgenia Spodine and Diego Venegas-Yazigi",

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doi = "10.1039/c4dt01561d",

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Hermosilla-Ibáñez, P, Cañon-Mancisidor, W, Costamagna, J, Vega, A , Paredes-García, V, Garland, MT, Le Fur, E, Cador, O, Spodine, E & Venegas-Yazigi, D 2014, 'Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V₁₂B₁₈O₆₀H₆] ^10- polyoxometalate', Dalton Transactions, vol. 43, no. 37, pp. 14132-14141. https://doi.org/10.1039/c4dt01561d

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T1 - Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6] 10- polyoxometalate

AU - Hermosilla-Ibáñez, Patricio

AU - Cañon-Mancisidor, Walter

AU - Costamagna, Juan

AU - Vega, Andrés

AU - Paredes-García, Verónica

AU - Garland, Maria Teresa

AU - Le Fur, Eric

AU - Cador, Olivier

AU - Spodine, Evgenia

AU - Venegas-Yazigi, Diego

PY - 2014

Y1 - 2014

N2 - In the present work, the synthesis and structural characterization of four new polyoxovanadoborate (BVO) frameworks based on the [V12B 18O60H6]10- polyanion are reported: (NH4)8(1,3-diapH2)[V12B 18O60H6]·5H2O (1), K 8(NH4)2[V12B18O 60H6]·18H2O (2), K10[V 12B18O60H6]·10H2O (3) and K8Cs2[V12B18O 60H6]·10H2O (4). A global antiferromagnetic behaviour is observed for these 10VIV/2V V mixed valence clusters. The magnetic data of 1, 2 and 3, which present different countercation environments, show that 1 is more coupled than 2 and 3. DFT calculations show that the positive charges strongly influence the polarization mechanism of the spin density of the vanadyl groups and the extent of the magnetic orbitals, therefore corroborating the experimental observation of the quenching effect of the magnetic coupling between vanadium centres of 2 and 3.

AB - In the present work, the synthesis and structural characterization of four new polyoxovanadoborate (BVO) frameworks based on the [V12B 18O60H6]10- polyanion are reported: (NH4)8(1,3-diapH2)[V12B 18O60H6]·5H2O (1), K 8(NH4)2[V12B18O 60H6]·18H2O (2), K10[V 12B18O60H6]·10H2O (3) and K8Cs2[V12B18O 60H6]·10H2O (4). A global antiferromagnetic behaviour is observed for these 10VIV/2V V mixed valence clusters. The magnetic data of 1, 2 and 3, which present different countercation environments, show that 1 is more coupled than 2 and 3. DFT calculations show that the positive charges strongly influence the polarization mechanism of the spin density of the vanadyl groups and the extent of the magnetic orbitals, therefore corroborating the experimental observation of the quenching effect of the magnetic coupling between vanadium centres of 2 and 3.

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U2 - 10.1039/c4dt01561d

DO - 10.1039/c4dt01561d

M3 - Article

AN - SCOPUS:84906712235

SN - 1477-9226

VL - 43

SP - 14132

EP - 14141

JO - Dalton Transactions

JF - Dalton Transactions

IS - 37

ER -

Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V₁₂B₁₈O₆₀H₆] ^10- polyoxometalate

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