Radical Trifluoromethylation of Sc₃N@C₈₀

Authors

Natalia B. Shustova, Colorado State University - Fort Collins
Alexey A. Popov, Moscow State UniversityFollow
Mary A. Mackey, University of Southern Mississippi
Curtis E. Coumbe, University of Southern Mississippi
J. Paige Phillips Buchanan, University of Southern MississippiFollow
Steven Stevenson, University of Southern MississippiFollow
Steven H. Strauss, Colorado State UniversityFollow
Olga V. Boltalina, Colorado State UniversityFollow

Document Type

Article

Publication Date

9-26-2007

Department

Chemistry and Biochemistry

Abstract

The addition of CF3 radicals to both the I (h) and D (5h) cage-isomers Of SC3N@C-80 by high-temperature reaction of the metallic nitride fullerenes with gaseous CF3I has resulted in the isolation Of SC3N@(C-80-I (h))(CF3)2 and SC3N@(C-80-D (5h))(CF3)(2), which have idealized C-2 and C-s symmetry, respectively. Both new compounds were characterized by F-19 NMR and electronic absorption spectroscopy, mass spectrometry, and quantum-chemical calculations at the DFT level of theory, and the I h cage derivative was also characterized by cyclic voltammetry. The results indicate that both compounds have a p -C-6(CF3)(2) hexagon with endohedral Sc atoms bonded to the sp(2) cage C atoms para to the sp(3) cage C-6(CF3) atoms.

Publication Title

Journal of the American Chemical Society

Volume

129

Issue

38

First Page

11676

Last Page

11677

Recommended Citation

Shustova, N., Popov, A., Mackey, M., Coumbe, C., Buchanan, J. P., Stevenson, S., Strauss, S. H., Boltalina, O. V. (2007). Radical Trifluoromethylation of Sc₃N@C₈₀. Journal of the American Chemical Society, 129(38), 11676-11677.
Available at: https://aquila.usm.edu/fac_pubs/9008