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This study investigates halogen-substituted Hofmann-type frameworks, revealing how lattice modifications influence spin-state transitions in iron(II) sites. Different halogen ligands lead to unique elastic couplings and spin-state switching pathways.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Coordination Chemistry

Background:

  • 2D Hofmann-type frameworks with iron(II) centers exhibit spin-state transitions.
  • Halogen substitution on ligands can influence framework properties and guest molecule interactions.
  • Understanding the interplay between lattice dynamics and spin-state behavior is crucial for materials design.

Purpose of the Study:

  • To synthesize and characterize a series of 2D Hofmann-type frameworks, [FeII(Pd(CN)4)(bztrzX)2]·nH2O, with varying halogen substituents (X = F, Cl, Br).
  • To investigate the effect of halogen variation on the elastic coupling between two distinct FeII sites within the frameworks.
  • To elucidate the resulting spin-state transition pathways and their dependence on lattice modifications and guest molecules.

Main Methods:

  • Synthesis and crystallographic analysis of halogen-substituted Hofmann-type frameworks.
  • Investigation of spin-state transitions through temperature-dependent measurements.
  • Analysis of elastic coupling and interaction types (ferroelastic/antiferroelastic) between FeII sites.

Main Results:

  • Frameworks exhibit two crystallographically distinct FeII sites ({Fe1-Fe2}) influenced by host-host and host-guest interactions.
  • Halogen variation (X) modulates elastic coupling, leading to ferroelastic or antiferroelastic interactions and altered spin-state stabilization.
  • Specific spin-state transition pathways ({HS-HS} ↔ {HS-LS} ↔ {LS-LS}, {HS-HS} ↔ {LS-HS} ↔ {LS-LS}, and {HS-HS} ↔ {LS-LS}) were observed, corresponding to Br, F, and Cl substituted frameworks, respectively.

Conclusions:

  • Lattice modification via halogen substitution is a key factor in controlling elastic coupling and spin-state transitions in these FeII frameworks.
  • The study demonstrates all three possible spin-state transition pathways in a two-site system, offering unique insights into cooperative phenomena.
  • While supporting theoretical models, the findings emphasize the need for considering additional structural and topological complexities to fully understand elastic frustration.