Concepedia

Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12

Daria V. Ignat’eva, Alexey A. Goryunkov, Nadezhda B. Tamm, Ilya N. Ioffe, Stanislav M. Avdoshenko, Anton Dimitrov, Erhard Kemnitz, Sergey I. Troyanov

Chemical Communications · 2006 · 45 citations · 17 references

DOI

Concepts

Abstract

Two isomers of C70(CF3)12 have been isolated from a mixture obtained by trifluoromethylation of C70 with CF3I; their molecular structures determined by X-ray crystallography are in good agreement with the results of theoretical DFT calculations for the most stable C70(CF3)12 isomers.

References

17

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets

Dmitri N. Laikov · Chemical Physics Letters · 1997 · 1.4K citations

, , +13

Production of Perfluoroalkylated Nanospheres from Buckminsterfullerene

Paul J. Fagan, Paul J. Krusic, Charles N. McEwen et al. · Science · 1993 · 148 citations

, , +10

Synthesis, Structure, and <sup>19</sup>F NMR Spectra of 1,3,7,10,14,17,23,28,31,40-C<sub>60</sub>(CF<sub>3</sub>)<sub>10</sub>

Ivan E. Kareev, Igor V. Kuvychko, S. Lebedkin et al. · Journal of the American Chemical Society · 2005 · 100 citations

, , +6