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Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low‐Spin Fe(III) Complex
Author(s) -
Ridier Karl,
Mondal Abhishake,
Boilleau Corentin,
Cador Olivier,
Gillon Béatrice,
Chaboussant Grégory,
Le Guennic Boris,
Costuas Karine,
Lescouëzec Rodrigue
Publication year - 2016
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201511354
Subject(s) - electron paramagnetic resonance , neutron diffraction , paramagnetism , anisotropy , chemistry , magnetization , magnetic anisotropy , spin (aerodynamics) , ab initio quantum chemistry methods , ab initio , magnetic susceptibility , condensed matter physics , molecule , crystallography , magnetometer , nuclear magnetic resonance , physics , crystal structure , magnetic field , optics , organic chemistry , quantum mechanics , thermodynamics
We have determined by polarized neutron diffraction (PND) the low‐temperature molecular magnetic susceptibility tensor of the anisotropic low‐spin complex PPh 4 [Fe III (Tp)(CN) 3 ]⋅H 2 O. We found the existence of a pronounced molecular easy magnetization axis, almost parallel to the C 3 pseudo‐axis of the molecule, which also corresponds to a trigonal elongation direction of the octahedral coordination sphere of the Fe III ion. The PND results are coherent with electron paramagnetic resonance (EPR) spectroscopy, magnetometry, and ab initio investigations. Through this particular example, we demonstrate the capabilities of PND to provide a unique, direct, and straightforward picture of the magnetic anisotropy and susceptibility tensors, offering a clear‐cut way to establish magneto‐structural correlations in paramagnetic molecular complexes.