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New publication in coordination chemistry reviews

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In cooperation with Fanica Cimpoesu (University of Bucharest) and Werner Urland (Private Institute for Theoretical Chemical Physics, Muralto), Markus has been able to place a review article on the semi-empirical Angular Overlap Model in the journal Coordination Chemistry Reviews. This almost forgotten model allows ligand fields to be described chemically in a very descriptive way based on the bond contributions of the individual metal-ligand bonds and thus offers an intuitive alternative to the previous technical (Wybourne) ligand field models for transition and also rare earth elements. The article also contains some practical applications of this model, such as luminescent materials, magnetism or ab initio calculations.

The angular overlap model of ligand field theory for f elements: An intuitive approach building bridges between theory and experiment.
M. Suta, F. Cimpoesu, W. Urland, Coord. Chem. Rev. 2021, 441, 213981, https://doi.org/10.1016/j.ccr.2021.213981

Kategorie/n: AC Suta
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