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journal article·2025-03Open access

Decoding Framework Dynamics in a Spin Crossover Flexible Metal–Organic Framework

Ana Martinez‐Martinez, Jorge Albalad, Esther Resines‐Urien, E. Carolina Sañudo, A. Lorenzo Mariano, Oscar Fabelo, Jose Alberto Rodríguez‐Velamazán, Roberta Poloni, Daniel Maspoch, José Sánchez Costa

Small· Volume 21· Issue 9
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Abstract

Abstract 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.
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Research context

OpenAlex topics: Magnetism in coordination complexes · Metal-Organic Frameworks: Synthesis and Applications · Lanthanide and Transition Metal Complexes

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

IMDEA Nanociencia C/ Faraday 9 Madrid 28049 Spain

Catalan Institute of Nanoscience and Nanotechnology (ICN2) CSIC and The Barcelona Institute of Science and Technology Campus UAB, Bellaterra Barcelona 08193 Spain

Departament de Química, Facultat de Ciències Universitat Autònoma de Barcelona Bellaterra Barcelona 08193 Spain

Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica Universidad de Barcelona C/Martí i Franqués 1–11 Barcelona 08028 Spain

IN2UB Institute de Nanociencia i Nanotecnologia Universitat de Barcelona C/Marti i Franques 1-11 Barcelona 08028 Spain

CNRS SIMAP Univ. Grenoble Alpes Grenoble 38000 France

Institut Laue‐Langevin 6 rue Jules Horowitz, BP 156 Grenoble Cedex 938042 France

ICREA Pg. Lluís Companys 23 Barcelona 08010 Spain

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