title: Large zero-field splittings of the ground spin state arising from antisymmetric exchange effects in heterometallic triangles.
abstract: [Ru2Mn(O)(O2CtBu)6(py)3] has an S=5/2 ground state with a very large zero-field splitting (ZFS) of D=2.9 cm(-1), as characterized by EPR spectroscopy at 4-330 GHz. This is far too large to be due to the Mn(II) ion (D <0.2 cm(-1)), as shown from the {Fe2Mn} analogue, but can be modeled by antisymmetric exchange effects.
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK).
authors.forename: Samantha A
authors.initials: SA
authors.lastname: Magee
authors.forename: Stephen
authors.initials: S
authors.lastname: Sproules
authors.forename: Anne-Laure
authors.initials: AL
authors.lastname: Barra
authors.forename: Grigore A
authors.initials: GA
authors.lastname: Timco
authors.forename: Nicholas F
authors.initials: NF
authors.lastname: Chilton
authors.forename: David
authors.initials: D
authors.lastname: Collison
authors.forename: Richard E P
authors.initials: RE
authors.lastname: Winpenny
authors.forename: Eric J L
authors.initials: EJ
authors.lastname: McInnes
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D004578:Electron Spin Resonance Spectroscopy; D004583:Electrons; D008968:Molecular Conformation; D011789:Quantum Theory; D012428:Ruthenium / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D012428:Ruthenium
keywords: EPR spectroscopy; antisymmetric exchange; electronic structure; exchange coupling; zero-field splitting