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Co-crystallisation as a modular approach to the discovery of spin-crossover materials

Birchall, L. T., Truccolo, G., Jackson, L., Shepherd, H.J. (2022) Co-crystallisation as a modular approach to the discovery of spin-crossover materials. Chemical Science, 13 . pp. 3176-3186. ISSN 2041-6520. (doi:10.1039/D1SC04956A) (KAR id:96877)


Herein we present co-crystallisation as a strategy for materials discovery in the field of switchable spin crossover (SCO) systems. Using [Fe(3-bpp)2]·2A (where 3-bpp = 2,6-bis(pyrazol-3-yl)pyridine, A = BF4−/PF6−) as a starting point, a total of 11 new cocrystals have been synthesised with five different dipyridyl coformers. Eight of these systems show spin crossover behaviour, and all show dramatically different switching properties from the parent complex. The cocrystals have been studied by variable temperature single-crystal X-ray diffraction and SQUID magnetometry to develop structure–property relationships. The supramolecular architecture of the cocrystals depends on the properties of the coformer. With linear, rigid coformer molecules leading to 1D supramolecular hydrogen-bonded chains, while flexible coformers form 2D sheets and bent coformers yield 3D network structures. The SCO behaviour of the cocrystals can be modified through changing the coformer and thus co-crystallisation presents a rapid, facile and highly modular tool for the discovery of new switchable materials. The wider applicability of this strategy to the design of hybrid multifunctional materials is also discussed.

Item Type: Article
DOI/Identification number: 10.1039/D1SC04956A
Subjects: Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Chemistry and Forensics
Funders: Leverhulme Trust (
Depositing User: Helena Shepherd
Date Deposited: 12 Sep 2022 10:18 UTC
Last Modified: 04 Mar 2024 18:51 UTC
Resource URI: (The current URI for this page, for reference purposes)

University of Kent Author Information

Birchall, L. T..

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Truccolo, G..

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Jackson, L..

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Shepherd, H.J..

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