Large zero-field splittings of the ground spin state arising from antisymmetric exchange effects in heterometallic triangles

Samantha A Magee; Stephen Sproules; Anne-Laure Barra; Grigore A Timco; Nicholas F Chilton; David Collison; Richard E P Winpenny; Eric J L McInnes

doi:10.1002/anie.201400655

Large zero-field splittings of the ground spin state arising from antisymmetric exchange effects in heterometallic triangles

Angew Chem Int Ed Engl. 2014 May 19;53(21):5310-3. doi: 10.1002/anie.201400655. Epub 2014 Apr 15.

Authors

Samantha A Magee¹, Stephen Sproules, Anne-Laure Barra, Grigore A Timco, Nicholas F Chilton, David Collison, Richard E P Winpenny, Eric J L McInnes

Affiliation

¹ School of Chemistry and Photon Science Institute, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK).

PMID: 24737709
DOI: 10.1002/anie.201400655

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.

Keywords: EPR spectroscopy; antisymmetric exchange; electronic structure; exchange coupling; zero-field splitting.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Coordination Complexes / chemistry*
Electron Spin Resonance Spectroscopy
Electrons
Molecular Conformation
Quantum Theory*
Ruthenium / chemistry*

Substances

Coordination Complexes
Ruthenium