Boosting axiality in stable high-coordinate Dy(iii) single-molecule magnets

Canaj, Angelos B. and Singh, Mukesh Kumar and Marti, Emma Regincos and Damjanovic, Marko and Wilson, Claire and Cespedes, Oscar and Wernsdorfer, Wolfgang and Rajaraman, Gopalan and Murrie, Mark (2019) Boosting axiality in stable high-coordinate Dy(iii) single-molecule magnets. Chemical Communications, 2019 (42). pp. 5950-5953. ISSN 1359-7345 (https://doi.org/10.1039/C9CC00965E)

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Abstract

A new nine-coordinate, air-stable Dy(III) single-ion magnet has been successfully isolated. Our in silico studies demonstrate that through carefully modulating the ligand electronics, the axiality can be boosted to generate Ucal barriers of over 600 K