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@article{1732158, author = {Jaroš, Adam and Foroutannejad, Cina and Straka, Michal}, article_location = {Washington, D. C.}, article_number = {17}, doi = {http://dx.doi.org/10.1021/acs.inorgchem.0c01713}, keywords = {Carbon nanomaterials; Nanospheres; Organic polymers; Molecules; Actinides}, language = {eng}, issn = {0020-1669}, journal = {Inorganic Chemistry}, title = {From pi Bonds without sigma Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes}, url = {https://doi.org/10.1021/acs.inorgchem.0c01713}, volume = {59}, year = {2020} }
TY - JOUR ID - 1732158 AU - Jaroš, Adam - Foroutannejad, Cina - Straka, Michal PY - 2020 TI - From pi Bonds without sigma Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes JF - Inorganic Chemistry VL - 59 IS - 17 SP - 12608-12615 EP - 12608-12615 PB - American Chemical Society SN - 00201669 KW - Carbon nanomaterials KW - Nanospheres KW - Organic polymers KW - Molecules KW - Actinides UR - https://doi.org/10.1021/acs.inorgchem.0c01713 L2 - https://doi.org/10.1021/acs.inorgchem.0c01713 N2 - 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. ER -
JAROŠ, Adam, Cina FOROUTANNEJAD a Michal STRAKA. From pi Bonds without sigma Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes. \textit{Inorganic Chemistry}. Washington, D. C.: American Chemical Society, 2020, roč.~59, č.~17, s.~12608-12615. ISSN~0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.0c01713.
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