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A dysprosium single molecule magnet outperforming current pseudocontact shift agents† † Electronic supplementary information (ESI) available: Synthetic procedures and crystallographic characterization. Magnetic measurements and simulations. Energy level structure and composition. Computational details. NMR details. CCDC 2129444 (complex 1) and 2129445 (complex 4). For ESI and crystallographic data in CIF or other electronic format see https://doi.org/10.1039/d2sc01619b

ABSTRACT: A common criterion for designing performant single molecule magnets and pseudocontact shift tags is a large magnetic anisotropy. In this article we present a dysprosium complex chemically designed to exhibit strong easy-axis type magnetic anisotropy that is preserved in dichloromethane solution at room temperature. Our detailed theoretical and experimental studies on the magnetic properties allowed explaining several features typical of highly performant SMMs. Moreover, the NMR characterization shows remarkably large chemical shifts, outperforming the current state-of-the art PCS tags. A robust dysprosium(iii) single molecule magnet with large uniaxial magnetic anisotropy induces pseudocontact shifts at almost doubled distance compared to standard shift agents.

SUBMITTER: Santana F

PROVIDER: S-EPMC9132026 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature

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