Magnetic Properties of (NH4)2ReCl6, Pd(NH3)4ReCl6, and Pt(NH3)4ReCl6 Compounds and the X-Ray Photoelectron Analysis of Their Electronic Structures

The magnetic properties of (NH4)2ReCl6, Pd(NH3)4ReCl6, and Pt(NH3)4ReCl6 complexes are studied in the temperature range of 2-300 K. The presence of weakly interacting rhenium(IV) ions is revealed with an antiferromagnetic transition at low temperatures in the range of 11-13 K. Theoretical broken-symmetry DFT computations show a weak antiferromagnetic interaction between ReCl62–. To determine zero-field splitting parameters and magnetic properties the CASSCF/NEVPT2 computations are performed with the experimental ReCl62– geometries of the studied complexes.