Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(II) complexes

Hay, M. A., Sarkar, A., Marriott, K. E.R., Wilson, C. , Rajaraman, G. and Murrie, M. (2019) Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(II) complexes. Dalton Transactions, 48(41), pp. 15480-15486. (doi: 10.1039/C9DT02187F) (PMID:31282505)

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Abstract

Understanding how the magnetic anisotropy in simple coordination complexes can be manipulated is instrumental to the development of single-molecule magnets (SMMs). Clear strategies can then be designed to control both the axial and transverse contributions to the magnetic anisotropy in such compounds, and allow them to reach their full potential. Here we show a strategy for boosting the magnetic anisotropy in a series of trigonal bipyramidal Mn(II) complexes – [MnCl3(HDABCO)(DABCO)] (1), [MnCl3(MDABCO)2]·[ClO4] (2), and [MnCl3(H2O)(MDABCO)] (3). These have been successfully synthesised using the monodentate [DABCO] and [MDABCO]+ ligands. Through static (DC) magnetic measurements and detailed theoretical investigation using ab initio methods, the magnetic anisotropy of each system has been studied. The calculations reveal that the rhombic zero-field splitting (ZFS) term (E) can be tuned as the symmetry around the Mn(II) ion is changed. Furthermore, an in silico investigation reveals a strategy to increase the axial ZFS parameter (D) of trigonal bipyramidal Mn(II) by an order of magnitude.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Hay, Ms Moya Anne and Murrie, Professor Mark and Wilson, Dr Claire and Marriott, Miss Katie
Authors: Hay, M. A., Sarkar, A., Marriott, K. E.R., Wilson, C., Rajaraman, G., and Murrie, M.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Dalton Transactions
Publisher:Royal Society of Chemistry
ISSN:1477-9226
ISSN (Online):1477-9234
Published Online:28 June 2019
Copyright Holders:Copyright © 2019 The Authors
First Published:First published in Dalton Transactions 48(41):15480-15486
Publisher Policy:Reproduced under a Creative Commons License

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
592671Mapping magnetic anistrophy: rational design of nanomagnets with increased blocking temperatures.Mark MurrieEngineering and Physical Sciences Research Council (EPSRC)EP/J018147/1CHEM - CHEMISTRY
618561Pressure-tuning interactions in molecule-based magnetsMark MurrieEngineering and Physical Sciences Research Council (EPSRC)EP/K033662/1CHEM - CHEMISTRY
701101EPSRC 2015 DTPMary Beth KneafseyEngineering and Physical Sciences Research Council (EPSRC)EP/M508056/1R&I - RESEARCH STRATEGY & INNOVATION