Article Dans Une Revue Angewandte Chemie International Edition Année : 2025

Elucidating the Correlation Between the Redox Potential, Spin State, and Crystal Structure in a Series of Ferrous Complexes with Redox‐Active Ligands

Résumé

Accurately predicting the spin crossover (SCO) temperature (T$_{1/2}$) in spin crossover compounds remains a significant challenge due to their extreme sensitivity to minor variations in ligand and crystal structure. In this study, we uncover a critical link between the redox potential of ligands and SCO behavior within Hofmann‐type clathrates {Fe(R‐pbpy⁺)₂[μ₂‐M(CN)₄]₂} (R = electron‐donating or electron‐withdrawing groups, M = Pd or Pt). Through precise tuning of the ligands' electronic properties, we establish a correlation between redox potential, space group, and SCO temperature, explained by an adaptation of Marcus theory of electron transfer. These findings not only provide a deeper understanding of the factors governing SCO behavior but also present a promising strategy for the rational design of SCO materials with tailored properties.

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hal-05185103 , version 1 (24-07-2025)

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Livia Getzner, Yasmine Remili, Zakaria Ziani, Laure Vendier, William Nicolazzi, et al.. Elucidating the Correlation Between the Redox Potential, Spin State, and Crystal Structure in a Series of Ferrous Complexes with Redox‐Active Ligands. Angewandte Chemie International Edition, 2025, 64 (32), pp.e202506965. ⟨10.1002/anie.202506965⟩. ⟨hal-05185103⟩
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