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A Flexible Approach for Engineering Macrocyclic High Performance Pentagonal Bipyramidal Dy(III) Single-Ion Magnets

preprint
submitted on 01.08.2020 and posted on 07.08.2020 by Angelos Canaj, Sourav Dey, Claire Wilson, Oscar Céspedes, Rajaraman Gopalan, Mark Murrie
A strong uniaxial ligand field generated by the Ph3SiO- ligand combined with the weak equatorial field of the macrocyclic ligand LN5, generates [DyIII(LN5)(Ph3SiO)2]+, a pentagonal bipyramidal Dy(III) Single-Molecule Magnet with a high anisotropy barrier of 1108 K, and hysteresis loops open up to 14 K. Based on our synthetic blueprint, we use ab initio calculations to predict changes to the macrocycle to increase the barrier to ~ 1800 K.

Funding

EPSRC (EP/N01331X/1)

EPSRC (EP/M000923/1)

DST / SERB (CRG/2018/000430; DST/SJF/CSA03/2018-10; SB/SJF/2019-20/12).

History

Email Address of Submitting Author

mark.murrie@glasgow.ac.uk

Institution

University of Glasgow

Country

United Kingdom

ORCID For Submitting Author

0000-0001-7297-2878

Declaration of Conflict of Interest

No conflcit of interest

Version Notes

Version 1 Aug 2020

Exports