title: Huge magnetic anisotropy in a trigonal-pyramidal nickel(II) complex.
abstract: The work presented herein shows the experimental and theoretical studies of a mononuclear nickel(II) complex with the largest magnetic anisotropy ever reported. The zero-field-splitting D parameter, extracted from the fits of the magnetization and susceptibility measurements, shows a large value of -200 cm(-1), in agreement with the theoretical value of -244 cm(-1) obtained with the CASPT2-RASSI method.
authors.affiliation: Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona , Diagonal 645, E-08028 Barcelona, Spain.
authors.forename: Silvia
authors.initials: S
authors.lastname: Gómez-Coca
authors.forename: Eduard
authors.initials: E
authors.lastname: Cremades
authors.forename: Núria
authors.initials: N
authors.lastname: Aliaga-Alcalde
authors.forename: Eliseo
authors.initials: E
authors.lastname: Ruiz