Communication

X-ray Crystallographic Proof of the Isomer D2-C84(5) as Trifluoromethylated and Chlorinated Derivatives, C84(CF3)16, C84Cl20, and C84Cl32

  1. Prof. Shangfeng Yang1,*,
  2. Dr. Chuanbao Chen1,
  3. Tao Wei1,
  4. Dr. Nadezhda B. Tamm2,
  5. Prof. Erhard Kemnitz3,
  6. Prof. Sergey I. Troyanov2,*

Article first published online: 26 JAN 2012

DOI: 10.1002/chem.201103456

Issue

Chemistry - A European Journal

Chemistry - A European Journal

Volume 18, Issue 8, pages 2217–2220, February 20, 2012

Additional Information

How to Cite

Yang, S., Chen, C., Wei, T., Tamm, N. B., Kemnitz, E. and Troyanov, S. I. (2012), X-ray Crystallographic Proof of the Isomer D2-C84(5) as Trifluoromethylated and Chlorinated Derivatives, C84(CF3)16, C84Cl20, and C84Cl32. Chem. Eur. J., 18: 2217–2220. doi: 10.1002/chem.201103456

Author Information

  1. 1

    Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (P.R. China), Fax: (+86) 551-3601750

  2. 2

    Department of Chemistry, Moscow State University, Leninskie gory, 119991 Moscow (Russia), Fax: (+7) 9391240

  3. 3

    Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor-Str. 2, 12489 Berlin (Germany)

*Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (P.R. China), Fax: (+86) 551-3601750

Publication History

  1. Issue published online: 10 FEB 2012
  2. Article first published online: 26 JAN 2012
  3. Manuscript Received: 3 NOV 2011

Funded by

  • National Natural Science Foundation. Grant Number: 20801052
  • National Basic Research Program of China. Grant Number: 2010CB923300
  • Russian Foundation for Basic Research. Grant Numbers: 09-03-00433, 09-03-91337
  • Deutsche Forschungsgemeinschaft. Grant Number: Ke 489/26-2

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Keywords:

  • chlorination;
  • fullerenes;
  • structure elucidation;
  • trifluoromethylation
Thumbnail image of graphical abstract

Minor isomer comes forward: Minor isomer C84(5) has been captured by high temperature trifluoromethylation with CF3I and chlorination with VCl4. The compounds C84(CF3)16, C84Cl20, and C84(5)Cl32 were investigated by X-ray crystallography providing the first direct proof of the cage connectivity of D2-C84(5). The D2-C84(5)Cl32 molecule (see figure; C grey, Cl green) contains two flattened, pyrene-like substructures on opposite poles of the cage resulting in its drum-like shape.

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