From π Bonds without σ Bonds to the Longest Metal–Metal Bond Ever: A Survey on Actinide–Actinide Bonding in Fullerenes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00532361" target="_blank" >RIV/61388963:_____/20:00532361 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.inorgchem.0c01713" target="_blank" >https://doi.org/10.1021/acs.inorgchem.0c01713</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.0c01713" target="_blank" >10.1021/acs.inorgchem.0c01713</a>

Result language
angličtina
Original language name
From π Bonds without σ Bonds to the Longest Metal–Metal Bond Ever: A Survey on Actinide–Actinide Bonding in Fullerenes
Original language description
Actinide-actinide bonds are rare. Only a few experimental systems with An-An bonds have been described so far. Recent experimental characterization of the U2@Ih(7)-C80 (J. Am. Chem. Soc. 2018, 140, 3907) system with one-electron two-center (OETC) U-U bonds as was predicted by some of us (Phys. Chem. Chem. Phys. 2015, 17, 24182) encourages the search for more examples of actinide-actinide bonding in fullerene cages. Here, we investigate actinide-actinide bonding in An2@D5h(1)-C70, An2@Ih(7)-C80, and An2@D5h(1)-C90 (An = Ac-Cm) endohedral metallofullerenes (EMFs). Using different methods of the chemical bonding analysis, we show that most of the studied An2@C70 and An2@C80 systems feature one or more one-electron two-center actinide-actinide bonds. Unique bonding patterns are revealed in plutonium EMFs. The Pu2@Ih(7)-C80 features two OETC Pu-Pu π bonds without any evidence of a corresponding σ bond. In the Pu2@D5h(1)-C90 with rPu-Pu = 5.9 Å, theory predicts the longest metal-metal bond ever described. Predicted systems are thermodynamically stable and should be, in principle, experimentally accessible, though radioactivity of studied metals may be a serious obstacle.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry

Project
<a href="/en/project/LTAUSA19148" target="_blank" >LTAUSA19148: Mono- and binuclear Fe, Cu active sites in biological systems: interplay between theory and experiment</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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