title: A Low Spin Manganese(IV) Nitride Single Molecule Magnet.
abstract: Structural, spectroscopic and magnetic methods have been used to characterize the tris(carbene)borate compound PhB(MesIm)3Mn≡N as a four-coordinate manganese(IV) complex with a low spin (S= 1/2) configuration. The slow relaxation of the magnetization in this complex, i.e. its single-molecule magnet (SMM) properties, is revealed under an applied dc field. Multireference quantum mechanical calculations indicate that this SMM behavior originates from an anisotropic ground doublet stabilized by spin-orbit coupling. Consistent theoretical and experiment data show that the resulting magnetization dynamics in this system is dominated by ground state quantum tunneling, while its temperature dependence is influenced by Raman relaxation.
authors.affiliation: Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington IN 47405 USA.
authors.forename: Mei
authors.initials: M
authors.lastname: Ding
authors.affiliation: Department of Chemistry, Northwestern University, 2145 Sheridan Road,Evanston, IL 60208 USA.
authors.forename: George E
authors.initials: GE
authors.lastname: Cutsail
authors.affiliation: Departamento de Química de los Materiales, Facultad de Química y Biología,Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago, Chile.
authors.forename: Daniel
authors.initials: D
authors.lastname: Aravena
authors.affiliation: Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, Barcelona, 08028 Spain.
authors.forename: Martín
authors.initials: M
authors.lastname: Amoza
authors.affiliation: CNRS, CRPP, UPR 8641, F-33600 Pessac, France; Univ. Bordeaux, CRPP, UPR 8641, F-33600 Pessac, France.
authors.forename: Mathieu
authors.initials: M
authors.lastname: Rouzières
authors.affiliation: CNRS, CRPP, UPR 8641, F-33600 Pessac, France; Univ. Bordeaux, CRPP, UPR 8641, F-33600 Pessac, France.
authors.forename: Pierre
authors.initials: P
authors.lastname: Dechambenoit
authors.affiliation: Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington IN 47405 USA.
authors.forename: Yaroslav
authors.initials: Y
authors.lastname: Losovyj
authors.affiliation: Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington IN 47405 USA.
authors.forename: Maren
authors.initials: M
authors.lastname: Pink
authors.affiliation: Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, Barcelona, 08028 Spain.
authors.forename: Eliseo
authors.initials: E
authors.lastname: Ruiz
authors.affiliation: CNRS, CRPP, UPR 8641, F-33600 Pessac, France; Univ. Bordeaux, CRPP, UPR 8641, F-33600 Pessac, France.
authors.forename: Rodolphe
authors.initials: R
authors.lastname: Clérac
authors.affiliation: Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington IN 47405 USA.
authors.forename: Jeremy M
authors.initials: JM
authors.lastname: Smith