Symmetry and Topology Determine the Mo^V–CN–Mn^II Exchange Interactions in High‐Spin Molecules

Abstract

Ferromagnetic or antiferromagnetic coupling? A theoretical study of complexes containing MoV–CN–MnII bridges reveals that a combination of local symmetry and molecular pseudosymmetry leads to a fascinating electronic structure that imposes antiferromagnetic interactions and results in a ferrimagnetic arrangement. The picture shows the spin density of the Mn9Mo6 complex studied.