Static and Dynamic Magnetic Properties of a Co(II)-Complex with N<inf>2</inf>O<inf>2</inf> Donor Set – A Theoretical and Experimental Study

A representative Co(II) based single ion magnet (SIM) with N2O2 donor set and distorted pseudo-tetrahedral geometry has been synthesized and characterized to study the atomic and electronic structure. DC magnetometry results have been evaluated by means of a phenomenological Hamiltonian approach regarding zero field splitting (ZFS) parameters and compared with results from ab-initio multi-reference CASSCF (complete active space self-consistent field) calculations and qualitative ligand field theory (AILFT). Profound investigation of spin-lattice relaxation with the variation of temperature (from 1.8 to about 8 K) and magnetic field (at 14 different fields from zero up to 1 T) have been performed based on AC magnetometry. Under an applied dc magnetic field, spin-lattice relaxation occurs via a direct process with T2 temperature dependence due to limited heat transfer at very low temperature and above 5 K relaxation by an Orbach process with an energy barrier of (Formula presented.) ≈80 K dominates.