Engineering first-order spin–orbit coupling in a pentagonal bipyramidal Fe( ii ) complex and subsequent SMM behavior

2025/01/01 by Kateryna Bretosh, Virginie Béreau, Flaurent Heully-Alary +5 · 1 voice · 1 citation
Materials Science · Biochemistry, Genetics and Molecular Biology · #Magnetism in coordination complexes #Lanthanide and Transition Metal Complexes #Electron Spin Resonance Studies

paper · pdf · doi:10.1039/d4qi03255a

openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22

Abstract

Pentagonal bipyramidal complexes with a first-order spin–orbit coupling contribution can be readily obtained by chemical design optimization.

Citations

• SUPERFLIP– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions
• Anisotropic Superexchange Interaction and Weak Ferromagnetism
• The ORCA quantum chemistry program package

Cited by

• Chemical tuning of quantum spin–electric coupling in molecular magnets

Discussions

• 👇#OpenAccess research on magnetism from Nathalie Guihéry, Jean-Pascal Sutter and colleagues 🔓Engineering first-order spin–orbit coupling in a pentagonal bipyramidal Fe(ii) complex and subsequent SM [bsky, 2 points, 0 comments]

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