From pi Bonds without sigma Bonds to the Longest Metal-Metal
Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

J 2020

From pi Bonds without sigma Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

JAROŠ, Adam, Cina FOROUTANNEJAD a Michal STRAKA

Základní údaje

Originální název

From pi Bonds without sigma Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

Autoři

JAROŠ, Adam, Cina FOROUTANNEJAD (364 Írán, domácí) a Michal STRAKA

Vydání

Inorganic Chemistry, Washington, D. C. American Chemical Society, 2020, 0020-1669

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10403 Physical chemistry

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 5.165

Kód RIV

RIV/00216224:14310/20:00117967

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1021/acs.inorgchem.0c01713

UT WoS

000570979900079

Klíčová slova anglicky

Carbon nanomaterials; Nanospheres; Organic polymers; Molecules; Actinides

Štítky

rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 13. 2. 2023 12:46, Mgr. Marie Šípková, DiS.

Anotace

V originále

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.

Návaznosti

LM2015085, projekt VaV

Název: CERIT Scientific Cloud (Akronym: CERIT-SC)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CERIT Scientific Cloud

90042, velká výzkumná infrastruktura

Název: CESNET II

Citovat

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. 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.

@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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