Decoding Framework Dynamics in a Spin Crossover Flexible Metal–Organic Framework
Functional spin crossover (SCO) metal-organic frameworks (MOFs) hold promise for miniaturized spin-based devices due to their tuneable molecule-based properties near room temperature. SCO describes the phenomenon where transition metal ions switch between high spin (HS) and low spin (LS) states upon external stimuli. However, even simple guest molecules like water can significantly alter the properties of these materials. Understanding the interplay between SCO and these molecules is therefore crucial. This work investigates this interplay in a fascinating 3D Fe(II) SCO-MOF, recently reported to exhibit reversible conductivity even in bulk. A combined experimental and computational approach is employed to explore how guest molecule uptake/release influences SCO dynamics including a transition from partial HS/LS to a fully LS state at high temperatures, (named reverse SCO) and ligand disorder-order behavior. The findings reveal a solid-state mechanism that differs from those previously described.
Authors
- Óscar Fabelo (ORCID: https://orcid.org/0000-0001-6452-8830)
- Eva Carolina Sañudo (ORCID: https://orcid.org/0000-0001-9647-6406)
- Esther Resines‐Urien (ORCID: https://orcid.org/0000-0002-1929-4681)
- Jorge Albalad (ORCID: https://orcid.org/0000-0001-5850-6723)
- Ana Martínez‐Martínez (ORCID: https://orcid.org/0000-0002-2252-955X)
- Jose Alberto Rodríguez‐Velamazán
- José Sánchez Costa (ORCID: https://orcid.org/0000-0001-5426-7956)
- Lorenzo A. Mariano (ORCID: https://orcid.org/0000-0002-1282-4977)
- Daniel Maspoch (ORCID: https://orcid.org/0000-0003-1325-9161)
- Roberta Poloni (ORCID: https://orcid.org/0000-0002-5379-3839)
Institutions
- Madrid Institute for Advanced Studies (ES)
- Institució Catalana de Recerca i Estudis Avançats (ES)
- Universitat Autònoma de Barcelona (ES)
- Centre National de la Recherche Scientifique (FR)
- Institut Català de Nanociència i Nanotecnologia (ES)
- Science et Ingénierie des Matériaux et Procédés (FR)
- Institut Laue-Langevin (FR)
- Institut de Nanociència i Nanotecnologia de la Universitat de Barcelona
- Universitat de Barcelona (ES)
- Université Grenoble Alpes (FR)
Publication Details
- Journal
- Small
- Published
- 2025-02-03
- DOI
- https://doi.org/10.1002/smll.202411201
- Citations
- 4
- Primary Topic
- Magnetism in coordination complexes
- Type
- article
- Field-Weighted Citation Impact
- 1.71
Funders
- Institut Català de Nanociència i Nanotecnologia
- Ministerio de Ciencia e Innovación
- Grand Équipement National De Calcul Intensif
- Agència de Gestió d'Ajuts Universitaris i de Recerca