Communication

Internal Magnetic Fields of Dianions of Fullerene C60 and Its Cage-Opened Derivatives Studied with Encapsulated H2 as an NMR Probe†

  1. Michihisa Murata Dr.2,
  2. Yuta Ochi2,
  3. Fumiyuki Tanabe2,
  4. Koichi Komatsu Prof. Dr.1,
  5. Yasujiro Murata Prof. Dr.2

Article first published online: 1 FEB 2008

DOI: 10.1002/anie.200705285

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 47, Issue 11, pages 2039–2041, February 28, 2008

Additional Information

How to Cite

Murata, M., Ochi, Y., Tanabe, F., Komatsu, K. and Murata, Y. (2008), Internal Magnetic Fields of Dianions of Fullerene C60 and Its Cage-Opened Derivatives Studied with Encapsulated H2 as an NMR Probe. Angew. Chem. Int. Ed., 47: 2039–2041. doi: 10.1002/anie.200705285

Author Information

  1. 1

    Department of Environmental and Biotechnological, Frontier Engineering, Fukui University of Technology, Gakuen, Fukui 910-8505, Japan, Fax: (+81) 776-29-7891

  2. 2

    Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan, Fax: (+81) 774-38-3178

  1. †

    This research was supported by KAKENHI from MEXT/JSPS and the PRESTO program sponsored by JST.

Publication History

  1. Issue published online: 22 FEB 2008
  2. Article first published online: 1 FEB 2008
  3. Manuscript Received: 17 NOV 2007

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Keywords:

  • aromaticity;
  • density functional calculations;
  • fullerenes;
  • NMR spectroscopy;
  • ring currents
Thumbnail image of graphical abstract

Inside information: The NMR signal of the molecular hydrogen in H2@C602− appears at extraordinarily low field (δ=26.36 ppm) relative to that of neutral H2@C60. This can be explained by the decrease in aromaticity of the C60 cage upon 2 e reduction. Spherical delocalization of the added two electrons over the π system of the fullerene cage is thought to be responsible for the drastic change in fullerene aromaticity.

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