Engineering macrocyclic high performance pentagonal bipyramidal Dy(iii) single-ion magnets

Canaj, A. B., Dey, S., Wilson, C. , Céspedes, O., Rajaraman, G. and Murrie, M. (2020) Engineering macrocyclic high performance pentagonal bipyramidal Dy(iii) single-ion magnets. Chemical Communications, 56(80), pp. 12037-12040. (doi: 10.1039/D0CC04559D) (PMID:32902527)

Abstract

We generate a new air-stable pseudo-D5h Dy(III) Single-Molecule Magnet (Ueff = 1108 K, TB = 14 K) by combining a weak equatorial ligand field from a macrocyclic LN5 ligand with a strong axial ligand field. Based on our synthetic blueprint, we use ab initio calculations to show the vast scope for macrocyclic engineering of magnetic anisotropy.

• Item Type: Articles
• Additional Information: We thank EPSRC UK (EP/N01331X/1, EP/M000923/1) for funding. S. D. thanks UGC for an SRF fellowship. G. R. thanks DST/SERB for funding (CRG/2018/000430; DST/SJF/CSA03/2018-10; SB/SJF/2019-20/12).
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Wilson, Dr Claire and Murrie, Professor Mark
• Authors: Canaj, A. B., Dey, S., Wilson, C., Céspedes, O., Rajaraman, G., and Murrie, M.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Chemical Communications
• Publisher: Royal Society of Chemistry
• ISSN: 1359-7345
• ISSN (Online): 1364-548X
• Published Online: 03 September 2020
• Copyright Holders: Copyright © 2020 The Royal Society of Chemistry
• First Published: First published in Chemical Communications 56(80): 12037-12040
• Publisher Policy: Reproduced under a Creative Commons License