Multitechnique investigation of Dy3 - implications for coupled lanthanide clusters

Chemical Science
Maren GyslerJoris van Slageren

Abstract

In-depth investigations of the low energy electronic structures of mononuclear lanthanide complexes, including single molecule magnets, are challenging at the best of times. For magnetically coupled polynuclear systems, the task seems well nigh impossible. However, without detailed understanding of the electronic structure, there is no hope of understanding their static and dynamic magnetic properties in detail. We have been interested in assessing which techniques are most appropriate for studying lanthanide single-molecule magnets. Here we present a wide ranging theoretical and experimental study of the archetypal polynuclear lanthanide single-molecule magnet Dy3 and derive the simplest model to describe the results from each experimental method, including high-frequency electron paramagnetic resonance and far-infrared spectroscopies and cantilever torque magnetometry. We conclude that a combination of these methods together with ab initio calculations is required to arrive at a full understanding of the properties of this complex, and potentially of other magnetically coupled lanthanide complexes.

References

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Citations

Nov 8, 2018·Chemistry : a European Journal·Joana T CoutinhoLaura C J Pereira
Jul 29, 2016·Chemistry : a European Journal·José J BaldovíEugenio Coronado
Apr 28, 2020·Angewandte Chemie·Liviu ChibotaruAlmas Muhtadi
May 29, 2018·Physical Chemistry Chemical Physics : PCCP·P NeugebauerJ van Slageren
Jan 13, 2018·Chemical Communications : Chem Comm·Jianfeng WuJinkui Tang
May 3, 2019·Physical Chemistry Chemical Physics : PCCP·Philipp P HallmenJoris van Slageren
Nov 15, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Li-Wei ChengPo-Heng Lin
Sep 15, 2020·Frontiers in Chemistry·Irina A KühneAnnie K Powell
Jul 9, 2016·Chemical Communications : Chem Comm·Xiao-Lei LiPeng Cheng
Sep 5, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Stuart K LangleyKeith S Murray
Dec 29, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Ming KongYou Song
Jun 11, 2021·Inorganic Chemistry·Júlia MayansLorenzo Sorace
Jun 9, 2016·Journal of Chemical Theory and Computation·Dongxia MaLaura Gagliardi
Oct 22, 2016·Accounts of Chemical Research·Yin-Shan MengSong Gao

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Methods Mentioned

BETA
electron
circular dichroism
electron paramagnetic resonance

Software Mentioned

SO
Easyspin
HFEPR
POLY
ANISO
MOLCAS

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