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May 17, 2026Dalton Transactions0 citationsOpen Access

A novel family of heteroleptic 1D chain spin-crossover complexes and its DFT modelling. How the formation of polynuclear chains modifies the ligand-field effects on spin transition

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VMVladyslav MaliuzhenkoUniversity of WrocławMWMarek WeselskiUniversity of WrocławMKMaria KsiążekMedical University of Silesia

Key Points

  • This research aims to investigate how polynuclear chain formation influences ligand-field effects on spin transitions in new coordination complexes.
  • Synthesize one-dimensional coordination polymers from various ditopic ligands and iron(II) tetrafluoroborate.
  • Employ density functional theory (DFT) modelling to assess ligand-field interactions.
  • Analyze the formation of polynuclear chains and their impact on spin-crossover behavior.
  • The synthesized complexes exhibited distinct spin-crossover properties depending on ligand variations.
  • DFT modelling indicated that polynuclear chains significantly alter the ligand-field effects, impacting spin transition behavior.

Abstract

Reactions of the ditopic ligands 1-(5-(2-pyridyl)tetrazol-1-yl)-3-(tetrazol-2-yl)propane (5-p1tz2tz), 1-(5-(2-pyridyl)tetrazol-2-yl)-3-(tetrazol-2-yl)propane (5-p2tz2tz), and 1-(3-(2-pyridyl)-1,2,4-triazol-1-yl)-3-(tetrazol-1-yl)propane (3-p1tr1tz) with iron(II) tetrafluoroborate afforded a series of one-dimensional coordination polymers: Fe(5-p1tz2tz)₂](BF₄)₂ (1), Fe(5-p2tz2tz)₂(BF₄) 2 (2), Fe(3-p1tr1tz)₂(BF₄)₂·CH₃CN (3) and Fe(3-p1tr1tz)₂(BF₄)₂·CH₃OH...

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Cite This Study

Maliuzhenko et al. (2026) studied this question.

synapsesocial.com/papers/6a095b1b7880e6d24efe0d29https://doi.org/10.1039/d6dt00320f
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