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 [V12B18O60H6](10-) polyanion are reported: (NH4)8(1,3-diapH2)[V12B18O60H6]·5H2O (1), K8(NH4)2[V12B18O60H6]·18H2O (2), K10[V12B18O60H6]·10H2O (3) and K8Cs2[V12B18O60H6]·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.
authors.affiliation: Facultad de Química y Biología, Universidad de Santiago de Chile, USACH, Chile.
authors.forename: Patricio
authors.initials: P
authors.lastname: Hermosilla-Ibáñez
authors.forename: Walter
authors.initials: W
authors.lastname: Cañon-Mancisidor
authors.forename: Juan
authors.initials: J
authors.lastname: Costamagna
authors.forename: Andrés
authors.initials: A
authors.lastname: Vega
authors.forename: Verónica
authors.initials: V
authors.lastname: Paredes-García
authors.forename: Maria Teresa
authors.initials: MT
authors.lastname: Garland
authors.forename: Eric
authors.initials: E
authors.lastname: Le Fur
authors.forename: Olivier
authors.initials: O
authors.lastname: Cador
authors.forename: Evgenia
authors.initials: E
authors.lastname: Spodine
authors.forename: Diego
authors.initials: D
authors.lastname: Venegas-Yazigi