From pi Bonds without sigma Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10424673" target="_blank" >RIV/00216208:11310/20:10424673 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14310/20:00117967
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=DiglbdC9PW" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=DiglbdC9PW</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.0c01713" target="_blank" >10.1021/acs.inorgchem.0c01713</a>
Alternative languages
Result language
angličtina
Original language name
From pi Bonds without sigma 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 characterizatiort of the u(2)@I-h(7) C-80 (I. 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 An(2)@D(5h)2(1)-C-70. An(2)@I-h(7)-C-80, and An(2)@D-5h(1)-C-90 (An = Ac Cm) endohedral metallofullerertes (EMFs). Using different methods of the chemical bonding analysis, we show that most of the studied An2@C70 and Anz@C80 systems feature one or more one -electron two -center actinide actinide bonds. Unique bonding patterns are revealed in plutonium EMFs. The Pu-2@I-h(7)-C-80 features two OETC Pu-Pu pi bonds without any evidence of a corresponding a bond. In the Pu-2@D-5h(1)-C-90 with r(Pu-Pu) = 5.9 angstrom, 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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Classification
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
Result continuities
Project
<a href="/en/project/LM2015085" target="_blank" >LM2015085: CERIT Scientific Cloud</a><br>
Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Inorganic Chemistry
ISSN
0020-1669
e-ISSN
—
Volume of the periodical
59
Issue of the periodical within the volume
17
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
12608-12615
UT code for WoS article
000570979900079
EID of the result in the Scopus database
2-s2.0-85090488139