Organometallic Single-Molecule Magnets

ended

In this project, we will develop new single-molecule magnets (SMMs) that combine the strong magnetic anisotropy of lanthanide ions with a series of novel radical ligands. Highly unusual di- and tri-metallic Ln-SMMs are proposed in which the metals are bridged by radicals with heavy Group 15 donor atoms (i.e. the pnictogens, phosphorus-bismuth). The SMM field is dominated by systems with diamagnetic ligands: our radical ligands are novel, hence their applications in single-molecule magnetism will be unprecedented. We will exploit the rich electrochemistry of the proposed ligands: our DFT calculations show that the target heavy pnictogen radical anions have huge spin densities on the donor atoms, hence the diffuse unpaired spin of the radicals will provide a way of switching off the quantum tunnelling mechanisms that otherwise prevent hysteresis. Ultimately, this project introduces the potential for creating SMMs that show hysteresis at unprecedentedly high temperatures.