Magneto-structural correlations

Magnetic anisotropy determination: EPR & theory

Defining magneto-structural correlations requires a good description of the electronic properties of series of complexes whose structure was resolved, but also the understanding of the origin of the measured physical parameters. Our approach was to combine an experimental technique, the multifrequency EPR spectroscopy (and magnetization measurements) with quantum chemistry based on DFT and ab initio methods. In particular, our efforts have been focused on the study of series of transition metal based complexes, especially Mn(II), Mn(III) and Mn(IV) complexes but also more recently on five-coordinated Co(III) and Fe(III) complexes.

Collaborations

M. Gruden (Serbia)
M. Orio (Marseille)
J. Krzystek (USA)
R. Clérac (Bordeaux)

Selected publications