An Exchange Mechanism for the Magnetic Behavior of Er(3+) Complexes

We study the magnetic properties of the erbium based compounds, Na [Formula: see text] [Er(W [Formula: see text] O [Formula: see text]) [Formula: see text]] and [(Pc)Er{Pc{N(C [Formula: see text] H [Formula: see text]) [Formula: see text]} [Formula: see text]}] [Formula: see text] , in the framework of an effective spin exchange model involving delocalized electrons occupying molecular orbitals. The calculations successfully reproduce the experimental data available in the literature for the magnetic spectrum, magnetization and molar susceptibility in dc and ac fields. Owing to their similar molecular geometry, the compounds’ magnetic behaviors are interpreted in terms of the same set of active orbitals and thus the same effective spin coupling scheme. For all three complexes, the model predicts a prompt change in the ground state from a Kramer’s doublet at zero fields to a fully polarized quartet one brought about by the action of an external magnetic field without Zeeman splitting. This alteration is attributed to the enhancement of the effect of orbital interactions over the spin exchange as the magnitude of the external magnetic field increases.