Zero-Field Splitting in {Mnlll33-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy

Research output: Contribution to journalJournal article – Annual report year: 2015Researchpeer-review

Without internal affiliation


  • Author: Sigrist, Marc

    University of Copenhagen

  • Author: Tregenna-Piggott, Philip L. W.

    Paul Scherrer Institute

  • Author: Pedersen, Kasper Steen

    University of Copenhagen

  • Author: Sørensen, Mikkel A.

    University of Copenhagen

  • Author: Barra, Anne-Laure


  • Author: Hauser, Jürg

    University of Bern

  • Author: Liu, Shi-Xia

    University of Bern

  • Author: Decurtins, Silvio

    University of Bern

  • Author: Mutka, Hannu

    Institut Laue-Langevin

  • Author: Bendix, Jesper

    University of Copenhagen

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The global zero-field splitting (ZFS) parameters of three, ferromagnetically coupled, μ3-K3)-[XO4]- (X = Cl, Re) capped, manganese(III) oximate single-molecule magnets, [Mn3O(R-sao)3(2,4'-bipyridine)3)XO4] [X = Cl, R = Me, Et; X = Re, R = Me; Me-sao = 2-hydroxyphenylethanone oximate(2-)], with crystallographic trigonal symmetry were determined by use of inelastic neutron scattering and high-field/high-frequency electron paramagnetic resonance spectroscopy. ReO4- (O…O ca. 1.7 Å) is larger than ClO4- (OO ca. 1.4 Å), which allows more parallel alignment of the local ZFS tensors. However, this chemical modification results in concomitant distortions in the equatorial ligand plane. Consistent parametrization of all spectroscopic data was achieved, and effective spin-reversal barriers determined from alternating current susceptibility data were shown to be in good accordance with the energy barriers deduced from spectroscopy.
Original languageEnglish
JournalEuropean Journal of Inorganic Chemistry
Issue number16
Pages (from-to)2683-2689
Publication statusPublished - 2015
Externally publishedYes
CitationsWeb of Science® Times Cited: No match on DOI

ID: 140262011