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Zero‐Field Splitting in {Mn III 3 (μ 3 ‐O)} Core Single‐Molecule Magnets Investigated by Inelastic Neutron Scattering and High‐Field Electron Paramagnetic Resonance Spectroscopy
Author(s) -
Sigrist Marc,
L. W. TregennaPiggott Philip,
S. Pedersen Kasper,
A. Sørensen Mikkel,
Barra AnneLaure,
Hauser Jürg,
Liu ShiXia,
Decurtins Silvio,
Mutka Hannu,
Bendix Jesper
Publication year - 2015
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201500084
Subject(s) - chemistry , inelastic neutron scattering , electron paramagnetic resonance , spectroscopy , crystallography , zero field splitting , resonance (particle physics) , inelastic scattering , scattering , atomic physics , electron , nuclear magnetic resonance , spin polarization , physics , quantum mechanics , optics
The global zero‐field splitting (ZFS) parameters of three, ferromagnetically coupled, μ 3 ‐κ 3 ‐[XO 4 ] – (X = Cl, Re) capped, manganese(III) oximate single‐molecule magnets, [Mn 3 O(R‐sao) 3 (2,4′‐bipyridine) 3 XO 4 ] [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. ReO 4 – (O ··· O ca. 1.7 Å) is larger than ClO 4 – (O ··· O 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.