Improving spin crossover characteristics in heteroleptic [Fe III (qsal-5-I)(qsal-5-OMe)]A complexes

2023/01/01 by Raúl Díaz‐Torres, Silvia Gómez‐Coca, Eliseo Ruíz +2 · 1 voice
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Electron Spin Resonance Studies #Magnetism in coordination complexes #Metal-Catalyzed Oxygenation Mechanisms

paper · doi:10.1039/d3dt02503a

openalex publication_date 2023/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/02

Abstract

SCAN functional in which the calculated structures show that SCO from the LS to the HS state causes pronounced scissoring of the 1D π-π chains and substantial changes in their relative orientation following loss of MeOH.

Citations

• OLEX2: a complete structure solution, refinement and analysis program
• Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation

Discussions

• Can you mix and match ligands to make better spin crossover systems? Our latest paper in Dalton Transactions suggests you can. This continues our great collaboration with our friends at UBarcelona who [bsky, 1 points, 0 comments]

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