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D5h_01082020.pdf (927.29 kB)

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

submitted on 01.08.2020, 08:02 and posted on 07.08.2020, 20:52 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.


EPSRC (EP/N01331X/1)

EPSRC (EP/M000923/1)

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


Email Address of Submitting Author


University of Glasgow


United Kingdom

ORCID For Submitting Author


Declaration of Conflict of Interest

No conflcit of interest

Version Notes

Version 1 Aug 2020