Scientists in France and Germany have come up with a method to model the electronic and magnetic properties of polynuclear complexes. Electron paramagnetic resonance (EPR) spectroscopy is used to measure magnetic anisotropy, but in weakly coupled systems, the signal can be very complicated or absent altogether.
Older methods using a spin ladder approach were only accurate at the lowest temperatures. The new method allowed the team to interpret complex experimental EPR data at various temperatures.
Such complexes are important in molecular magnets and are found in nature, so their study is of wide interest.
Read this HOT PCCP article today:
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit.
Marius Retegan, Marie-Noëlle Collomb, Frank Neese and Carole Duboc
DOI: 10.1039/C2CP42955A
