title: Copper(II) cubanes with a {Cu4O} core and well defined S = 1 ground state.
abstract: The reaction of 2-pyridinemethanol with copper 4-fluorobenzoate has yielded a family of type II cubanes with formula [Cu4(pymO)4(4-F-PhCOO)3(NO3)] (), [Cu4(pymO)4(4-F-PhCOO)4] () and [Cu4(pymO)4(4-F-PhCOO)4(H2O)] (). These systems exhibit an unexpected S = 1 ground state and their magnetic properties have been unambiguously characterized and rationalized as a function of the asymmetry of the {Cu4O4} cage and Cu-O-Cu bond angles. Analysis of the coupling constants was performed applying new interaction schemes. Magneto-structural correlations have been performed from the analysis of previously reported type II copper cubanes.
authors.affiliation: Departament de Química Inorgànica and Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, Av. Diagonal 645, Barcelona-08028, Spain. albert.escuer@ub.edu.
authors.forename: A
authors.initials: A
authors.lastname: Escuer
authors.affiliation: Departament de Química Inorgànica and Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, Av. Diagonal 645, Barcelona-08028, Spain. albert.escuer@ub.edu.
authors.forename: J
authors.initials: J
authors.lastname: Mayans
authors.affiliation: Departament de Mineralogia, Cristallografia i Dipòsits Minerals and Unitat de Difracció de R-X, Centre Científic i Tecnològic de la Universitat de Barcelona (CCiTUB), Universitat de Barcelona, Solé i Sabarís 1-3, 08028 Barcelona, Spain.
authors.forename: M
authors.initials: M
authors.lastname: Font-Bardia