Issue 59, 2018

Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets

Abstract

Two new air-stable axial Dy(III) single-ion magnets, [Dy(H2O)5(HMPA)2]Cl3·HMPA·H2O (1) and [Dy(H2O)5(HMPA)2]I3·2HMPA (2) (HMPA = hexamethylphosphoramide), exhibit magnetic hysteresis which remains open up to 9 K for 1@Y and 10 K for 2@Y, respectively. Ab initio calculations, using step-by-step elimination of fragments to generate a series of model complexes, reveal that the secondary coordination sphere plays a key role in controlling the magnetisation reversal barrier and predict that the removal of outer-sphere molecules and anions will enhance the barrier further.

Graphical abstract: Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets

Supplementary files

Article information

Article type
Communication
Submitted
16 May 2018
Accepted
03 Jul 2018
First published
10 Jul 2018
This article is Open Access
Creative Commons BY license

Chem. Commun., 2018,54, 8273-8276

Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(III) single-ion magnets

A. B. Canaj, M. K. Singh, C. Wilson, G. Rajaraman and M. Murrie, Chem. Commun., 2018, 54, 8273 DOI: 10.1039/C8CC03929A

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