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Ligand design for long-range magnetic order in metal-organic frameworks

Davide Tiana, Christopher H. Hendon, Aron Walsh

OAI: oai:purehost.bath.ac.uk:publications/5d81904e-aa2b-49d2-9d39-2b872b3f7242 • DOI: https://doi.org/10.1039/c4cc06433j

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Abstract

We report a class of ligands that are candidates to construct metal-organic frameworks with long-range magnetic order between transition metal centres. Direct quantum chemical calculations predict Néel temperatures exceeding 100 K for the case of Mn.