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Royal Society of Chemistry, Dalton Transactions, 26(49), p. 9137-9147, 2020

DOI: 10.1039/d0dt01513j

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Addition of CF2 group to endohedral fullerene Sc3N@Ih-C80

Journal article published in 2020 by Anastasia D. Pykhova ORCID, Olesya O. Semivrazhskaya ORCID, Nataliya A. Samoylova ORCID, Alexey V. Rybalchenko ORCID, Marco Rosenkranz, Ilya N. Ioffe ORCID, Alexey A. Popov ORCID, Alexey A. Goryunkov ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

[6,6]-Open Cs-Sc3N@C80CF2 adduct is formed in reaction of Sc3N@Ih-C80 with CF2ClCOONa. CF2 addition imposes considerable restrictions on the Sc3N motion inside the carbon cage. DFT calculations suggest that the reaction pathway is nucleophilic rather than carbenic.