Cover Picture: The Lowest Singlet and Triplet States of the Oxyallyl Diradical (Angew. Chem. Int. Ed. 45/2009)

  1. Takatoshi Ichino Dr.1,2,
  2. Stephanie M. Villano Dr.1,2,
  3. Adam J. Gianola Dr.1,2,
  4. Daniel J. Goebbert Dr.3,
  5. Luis Velarde Dr.3,
  6. Andrei Sanov Prof.3,
  7. Stephen J. Blanksby Dr.4,
  8. Xin Zhou Dr.5,
  9. David A. Hrovat Dr.5,
  10. Weston Thatcher Borden Prof.5,
  11. W. Carl Lineberger Prof. 1,2

Article first published online: 6 OCT 2009

DOI: 10.1002/anie.200905074

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 48, Issue 45, page 8381, October 26, 2009

Additional Information

How to Cite

Ichino, T., Villano, Stephanie M., Gianola, Adam J., Goebbert, Daniel J., Velarde, L., Sanov, A., Blanksby, Stephen J., Zhou, X., Hrovat, David A., Borden, W. and Lineberger, W. Carl. (2009), Cover Picture: The Lowest Singlet and Triplet States of the Oxyallyl Diradical (Angew. Chem. Int. Ed. 45/2009). Angew. Chem. Int. Ed., 48: 8381. doi: 10.1002/anie.200905074

Author Information

  1. 1

    JILA and Department of Chemistry and Biochemistry, University of Colorado http://jilawww.colorado.edu/wclgroup/

  2. 2

    National Institute of Standards and Technology, Boulder, CO 80309-0440 (USA), Fax: (+1) 303-492-8994

  3. 3

    Department of Chemistry, University of Arizona, Tucson, AZ 85721-0041 (USA)

  4. 4

    Department of Chemistry, University of Wollongong, Wollongong, NSW 2522 (Australia)

  5. 5

    Department of Chemistry and Center for Advanced Simulation Computation and Modeling, University of North Texas, Denton, TX 76203-5070 (USA)

Publication History

  1. Issue published online: 20 OCT 2009
  2. Article first published online: 6 OCT 2009

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Keywords:

  • oxyallyl compounds;
  • photoelectron spectroscopy;
  • radicals;
  • reactive intermediates
Thumbnail image of graphical abstract

Photodetachment of the oxyallyl radical anion leads to formation of the oxyallyl diradical, an elusive transient molecule involved in many organic reactions. As described by W. C. Lineberger et al. in their Communication on page 8509 ff., the photoelectron spectrum reveals that the oxyallyl ground state is singlet and the lowest triplet state is only 55 meV higher in energy. The spectral profile indicates that the planar singlet state is the transition state for ring-opening of cyclopropanone, whilst the CCC bending motion is activated upon photodetachment to the triplet state.

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