Lanthanide-based single-molecule magnets have been demonstrated the capabilities of exhibiting highly directional magnetic ground states through integrating anisotropy-generating ligands onto the metal centers. The presence of such grounds states allows for the possibility of dipolar coupling driving slow relaxation dynamics in such magnetic systems. In this work, a series of mono-, di-, and trinuclear erbium-based single-molecule magnets are utilized to probe further the propensity of synthetically designing materials with special control of the intramolecular dipolar coupling interactions between highly anisotropic ground states. Through modeling relaxation behaviors and ab initio calculations, we discern the presence of dipolar coupling and its influence over QTM relaxation mechanisms in both the di- and trinuclear species. We extend these findings to intuitive paradigms for further synthetic exploration, as the isolated, anisotropic nature and correlation to geometric parameters allow this model to retain a high level of predictive capability.

Intuitive control in complex magnetic ground states via directed dipolar interactions in a series of ([Er-TiPS2COT]+)n single-molecule magnets

ACS Spring 2022

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