Unveiling new [1+1] Schiff-base macrocycles towards high energy-barrier hexagonal bipyramidal Dy( iii ) single-molecule magnets †

Armenis, Alexandros S., Mondal, Arpan, Giblin, Sean R. ORCID: https://orcid.org/0000-0003-1876-8619, Raptopoulou, Catherine P., Psycharis, Vassilis, Alexandropoulos, Dimitris I., Tang, Jinkui, Layfield, Richard A. and Stamatatos, Theocharis C. 2024. Unveiling new [1+1] Schiff-base macrocycles towards high energy-barrier hexagonal bipyramidal Dy( iii ) single-molecule magnets †. Chemical Communications 10.1039/d4cc04551c

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Abstract

The employment of the [1+1] condensation approach for the preparation of new macrocyclic scaffolds (LN6 and LN3O3) towards high-performance Dy(iii) single-molecule magnets (SMMs) with pseudo-D6h symmetry is described. Engineering of the macrocycles denticity from LN6 to LN3O3 leads to a mononuclear SMM with a large Ueff value of 1300 K. The experimental results are supported by ab initio calculations, which indicate relaxation of the magnetization via the second-excited state.

Item Type:	Article
Date Type:	Published Online
Status:	In Press
Schools:	Physics and Astronomy
Additional Information:	License information from Publisher: LICENSE 1: URL: https://creativecommons.org/licenses/by-nc/3.0/, Start Date: 2024-10-08
Publisher:	Royal Society of Chemistry
ISSN:	1359-7345
Date of First Compliant Deposit:	16 October 2024
Date of Acceptance:	7 October 2024
Last Modified:	16 Oct 2024 13:47
URI:	https://orca.cardiff.ac.uk/id/eprint/172943

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