Trifluoromethylated Endohedral Metallofullerenes: Synthesis and Characterization of Y@C82(CF3)5

Quantum chemical calculations and NMR spectroscopic data suggest that the two isomers of Y@C82(CF3)5 prepared by trifluoromethylation of the endohedral metallofullerene (EMF) contain chains of four 1,4‐C6(CF3)2 edge‐sharing hexagons (see picture). In striking contrast to the empty fullerenes, which...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2005-03, Vol.44 (12), p.1846-1849
Main Authors: Kareev, Ivan E., Lebedkin, Sergey F., Bubnov, Vyacheslav P., Yagubskii, Eduard B., Ioffe, Ilya N., Khavrel, Pavel A., Kuvychko, Igor V., Strauss, Steven H., Boltalina, Olga V.
Format: Article
Language:English
Subjects:
1,4‐addition
4-addition
density functional calculations
fullerenes
NMR spectroscopy
trifluoromethylation
Online Access:Get full text
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Summary:Quantum chemical calculations and NMR spectroscopic data suggest that the two isomers of Y@C82(CF3)5 prepared by trifluoromethylation of the endohedral metallofullerene (EMF) contain chains of four 1,4‐C6(CF3)2 edge‐sharing hexagons (see picture). In striking contrast to the empty fullerenes, which form complex mixtures with up to 22 CF3 groups, EMF Y@C82 only forms products with one, three, and five CF3 groups.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200461497