Modelling Cobalt(II)-Radical Systems

Congratulations to Boskovic Group PhD student Gemma Gransbury on the publication of her paper “Single-ion anisotropy and exchange coupling in cobalt(II)-radical complexes: insights from magnetic and ab initio studies” in Chemical Science.

Performed in collaboration with Alessandro Soncini and workers from Monash, ANSTO and the University of Florence, this experimental and theoretical study provides important new insights into modelling high spin Co(II)-radical systems, which are notoriously difficult to model due to spin-orbit coupling and exchange interactions.

The methodology Gemma developed will be generally applicable for elucidating exchange coupling between orbitally-degenerate metal ions and radical ligands and is relevant to the development of bistable molecules and their integration into devices for quantum computing and molecular spintronics.