A magnetooptical study of (4-(2-dibutylaminoethanolato-N,O,O,O) chlorido copper(ii)): a cubane complex with dominant ferromagnetic interactions
Literature Information
Serghei M. Ostrovsky, Zbigniew Tomkowicz, Wolfgang Haase
This paper reports the experimental and theoretical study of a tetranuclear (CuClOCH2CH2N(C4H9)2)4 complex. Analysis of the magnetic circular dichroism spectrum was performed based on the Hamiltonian that includes the crystal field of the nearest ligands and the spin–orbit interaction. The crystal field parameters were evaluated in the framework of the exchange charge model that accounts for the exchange and covalence effects. The values of the crystal field parameters obtained during the analysis of the magnetic circular dichroism spectrum were used for the calculation of the principal values and the directions of the principal axes of the local g-tensors and for the simulation of both temperature dependence of the magnetic susceptibility and field dependence of the magnetization. The value of the exchange parameter (Jex = 30 cm−1) was obtained. It was demonstrated that the description of the low temperature magnetic properties requires taking into account the intercluster interaction.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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