Communication

Curved Aromaticity of a Corannulene-Based Neutral Radical: Crystal Structure and 3 D Unbalanced Delocalization of Spin†

  1. Yasushi Morita Prof. Dr.1,3,
  2. Akira Ueda1,
  3. Shinsuke Nishida Dr.2,
  4. Kozo Fukui Dr.3,
  5. Tomoaki Ise Dr.2,
  6. Daisuke Shiomi Prof. Dr.2,
  7. Kazunobu Sato Prof. Dr.2,
  8. Takeji Takui Prof. Dr.2,
  9. Kazuhiro Nakasuji Prof. Dr.1

Article first published online: 6 FEB 2008

DOI: 10.1002/anie.200704752

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 47, Issue 11, pages 2035–2038, February 28, 2008

Additional Information

How to Cite

Morita, Y., Ueda, A., Nishida, S., Fukui, K., Ise, T., Shiomi, D., Sato, K., Takui, T. and Nakasuji, K. (2008), Curved Aromaticity of a Corannulene-Based Neutral Radical: Crystal Structure and 3 D Unbalanced Delocalization of Spin. Angew. Chem. Int. Ed., 47: 2035–2038. doi: 10.1002/anie.200704752

Author Information

  1. 1

    Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan, Fax: (+81) 6-6850-5395

  2. 2

    Departments of Chemistry and Materials Science, Graduate School of Science, Osaka City University, Sumiyoshi-ku, Osaka 558-8585, Japan, Fax: (+81) 6-6605-2522

  3. 3

    PRESTO, Japan Science and Technology Agency (JST)

  1. †

    This work was supported by PRESTO-JST, Grant-in-Aid for Scientific Research (No. 18655058) from the Ministry of Education, Culture, Sports, Science and Technology (Japan), and the Global COE Program “Global Education and Research Center for Bio-Environmental Chemistry” of Osaka University.

Publication History

  1. Issue published online: 22 FEB 2008
  2. Article first published online: 6 FEB 2008
  3. Manuscript Received: 14 OCT 2007

Funded by

  • Grant-in-Aid for Scientific Research. Grant Number: 18655058

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Keywords:

  • aromaticity;
  • density functional calculations;
  • EPR spectroscopy;
  • radicals;
  • X-ray diffraction
Thumbnail image of graphical abstract

A well-rounded radical: A stable corannulene-based neutral radical with curved π conjugation was synthesized, and the crystal structure was determined. Unbalanced delocalized electronic spin on the three-dimensional π surface of the corannulene moiety (see spin-density distribution) demonstrates a sizable intermolecular exchange interaction and curved aromaticity.

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