Pablo Roseiro, Ashini Shah, Saad Yalouz and Vincent Robert published a new paper, “Interplay Between Spinmerism and Spin-Orbit Coupling for a d2 Metal Ion in an Open-Shell Ligand Field” in ChemPhysChem: https://doi.org/10.1002/cphc.202400914
Recent, theoretical studies have shown that placing a spin-crossover ion in a field of radical ligands can induce local superpositions of local spin states (see Ref.[1,2]). This phenomenon, termed spinmerism, raises questions about its stability when spin-orbit coupling is included. Thus, we investigate the competition between spin-orbit coupling and spinmerism in a d2 metal ion with two radical ligands. Our results show that competing spinmerism and spin-orbit coupling can induce distinct states which may potentially open new avenues for quantum technologies.
