Rémi Maurice

TL;DR: The effective Hamiltonian procedure enables us to confirm the validity of the standard model Hamiltonian to produce the magnetic anisotropy of monometallic complexes and the calculated ZFS parameters are in good agreement with high-field, high-frequency electron paramagnetic resonance spectroscopy and frequency domain magnetic resonanceSpectroscopy data.

TL;DR: The nature and magnitude of the magnetic anisotropy of heptacoordinate mononuclear Ni( II) and Co(II) complexes were investigated by a combination of experiment and ab initio calculations to rationalize the magnitude and the sign of D.

TL;DR: The theoretical study shows that, for an ideally trigonal Ni(II) complex, the orbital degeneracy leads to a first-order spin-orbit coupling that results in a splitting of the M(s) = ± 1 and M(S) = 0 components of the ground spin state of approximately -600 cm(-1).

TL;DR: It is shown that chemical differentiation between californium and lanthanides can be achieved by using ligands that are both highly polarizable and substantially rearrange on complexation, and a ligand that suits both of these desired properties is polyborate.

TL;DR: It is proposed that the diiron system has delocalized metal-metal bonding electrons, which seems to correlate with a short metal- metal bond and a higher spin state.