Abstract
For the first time, a topological analysis of the electron density distribution function in a crystal for an organolanthanide compound was carried out using the CpLuCl₂(THF)₃ complex as an example. The charges on atoms were determined. A predominantly ionic nature of the Lu–ligand bond was confirmed, but the essentially covalent nature of the Lu–Cp bond was discovered. The energies of the Lu–ligand bonds were determined.
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More From: Doklady Rossijskoj akademii nauk. Himiâ, nauki o materialah.
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