Crystallographic determination of Lu@ <i>C</i> <sub>2v</sub> (9)-C <sub>82</sub> : electronic configuration and encapsulation energy-driven formation preference
Lu@C<sub>82</sub>, long overshadowed by Lu<sub>2</sub>C<sub>82</sub>, is isolated and structurally identified as Lu<sup>3+</sup>@[<i>C</i><sub>2v</sub>(9)-C<sub>82</sub>]<sup>3-</sup>. Spectroscopy and DFT show metal-cage electrostatics overriding 6s contraction. An encapsulation energy descriptor explains Lu<sub>2</sub>@C<sub>82</sub> formation preference and lanthanide metallofullerene nuclearity, resolving the Lu@C<sub>82</sub> valence paradox.
Authors
- M. Li
- Ziyi Hu (ORCID: https://orcid.org/0000-0001-8866-2583)
- Pengwei Yu (ORCID: https://orcid.org/0000-0001-5518-6832)
- Lipiao Bao
- Xiaoxue Tan
- Wangqiang Shen
- Rui Zhang
- Xing Lu
Institutions
- Xidian University (CN)
- Huazhong University of Science and Technology (CN)
- Wuhan Institute of Technology (CN)
Publication Details
- Journal
- Chemical Communications
- Published
- 2026-01-01
- DOI
- https://doi.org/10.1039/d5cc07103h
- Primary Topic
- Fullerene Chemistry and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00