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Updated: May 20, 2026
Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Decomposition of Magnetic Coupling in μ-Oxo-Bridged Metal Complexes
1Department of Chemistry, Quantum Chemistry, TU Darmstadt, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany.
Abstract:
The valence intermediate effective Hamiltonian (VIEH) approach is a powerful tool for decomposing an overall magnetic coupling strength into ferromagnetic and antiferromagnetic contributions. Herein, we suggest an adaptation of the VIEH framework for complexes with multiple magnetic coupling pathways. This approach is showcased with a homologous series of [M2(μ-O)(NH3)n]2+ complexes, including Cu(II), Ni(II), and Fe(II). Typically, antiferromagnetic coupling progressively weakens from copper to nickel and iron. We demonstrate that this weakening arises primarily from an increase in the ferromagnetic coupling contribution relative to the antiferromagnetic one.
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