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Issue 16, 2007
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X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 °C

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Abstract

The title compound, prepared from C60 and CF3I at 500 °C, exhibits an unusual fullerene(X)12 addition pattern that is 40 kJ mol−1 less stable than the previously reported C60(CF3)12 isomer.

Graphical abstract: X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 °C

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Article information


Submitted
30 Nov 2006
Accepted
21 Feb 2007
First published
19 Mar 2007

Chem. Commun., 2007, 1650-1652
Article type
Communication

X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 °C

I. E. Kareev, N. B. Shustova, D. V. Peryshkov, S. F. Lebedkin, S. M. Miller, O. P. Anderson, A. A. Popov, O. V. Boltalina and S. H. Strauss, Chem. Commun., 2007, 1650
DOI: 10.1039/B617489B

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