Magnetic ligands in the Pt₂(dta)₄I compound
Lepetit, Marie-Bernadette · Robert, Vincent
Original · EN
We report a reinterpretation of the electronic structure of the (Pt)₂I(dta)₄ compound, based on ab initio embedded fragment calculations. Our major results are the following. First, the usually assumed electronic intra-dimer charge ordering is unrealistic. Second, the (dta) ligands take part actively in the magnetic properties of the system. The proposed electronic structure is favorably confronted to experimental data. In particular, the unexplained 3:1 Pt²⁺/Pt³⁺ abundances ratio of the XPS spectra is rationalized.
English translation
This paper has no Arabic translation yet. Be the first: it takes a few seconds, and the result is stored for every future reader.