Features of electronic structure of (<i>η</i>⁵-C₅H₅)LuCl₂(THF)₃
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.
Authors
- Konstantin Alexandrovich Lyssenko (ORCID: https://orcid.org/0000-0002-3500-1287)
- Mikhail Evgenievich Minyaev (ORCID: https://orcid.org/0000-0002-4089-3697)
- Daniil A. Bardonov (ORCID: https://orcid.org/0009-0001-1052-3599)
- Dmitrii M. Roitershtein (ORCID: https://orcid.org/0000-0003-0320-1775)
Institutions
- National Research University Higher School of Economics (RU)
- Russian Academy of Sciences (RU)
- Lomonosov Moscow State University (RU)
- N.D. Zelinsky Institute of Organic Chemistry (RU)
- A.V. Topchiev Institute of Petrochemical Synthesis (RU)
- Moscow State University (TJ)
Publication Details
- Journal
- Доклады Российской академии наук Химия науки о материалах
- Published
- 2024-11-03
- DOI
- https://doi.org/10.31857/s2686953524030079
- Primary Topic
- Inorganic Fluorides and Related Compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00