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; Lev N. Sidorov; Anton Dimitrov; Erhard Kemnitz; Sergey I. Troyanov

doi:10.1039/B518422C

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

Daria V. Ignat'eva,^a Alexey A. Goryunkov,^a Nadezhda B. Tamm,^a Ilya N. Ioffe,^a Stanislav M. Avdoshenko,^a Lev N. Sidorov,^a Anton Dimitrov,^b Erhard Kemnitz^b and Sergey I. Troyanov*^a

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* Corresponding authors

^a Chemistry Department, Moscow State University, Leninskie Gory, Moscow, Russia
E-mail: sergej.troyanov@rz.hu-berlin.de
Fax: +7 495 9391240
Tel: +7 495 9395396

^b Institute of Chemistry, Humboldt University Berlin, Brook-Taylor-Str. 2, Berlin, Germany

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.

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Article information

DOI: https://doi.org/10.1039/B518422C
Article type: Communication
Submitted: 04 Jan 2006
Accepted: 03 Mar 2006
First published: 17 Mar 2006

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Chem. Commun., 2006, 1778-1780

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

D. V. Ignat'eva, A. A. Goryunkov, N. B. Tamm, I. N. Ioffe, S. M. Avdoshenko, L. N. Sidorov, A. Dimitrov, E. Kemnitz and S. I. Troyanov, Chem. Commun., 2006, 1778 DOI: 10.1039/B518422C

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