Communication

The Lowest Singlet and Triplet States of the Oxyallyl Diradical†

  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: 8 SEP 2009

DOI: 10.1002/anie.200904417

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 48, Issue 45, pages 8509–8511, 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), The Lowest Singlet and Triplet States of the Oxyallyl Diradical. Angew. Chem. Int. Ed., 48: 8509–8511. doi: 10.1002/anie.200904417

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)

  1. †

    We are pleased to acknowledge generous support from the National Science Foundation, the Air Force Office of Scientific Research, and the Robert A. Welch Foundation.

Publication History

  1. Issue published online: 20 OCT 2009
  2. Article first published online: 8 SEP 2009
  3. Manuscript Received: 7 AUG 2009

Funded by

  • National Science Foundation
  • Air Force Office of Scientific Research
  • Robert A. Welch Foundation

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Keywords:

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

Small S–T splitting: The photoelectron spectrum of the oxyallyl radical anion (see picture) reveals that the electronic ground state of oxyallyl is singlet, and the lowest triplet state is separated from the singlet state by only (55±2) meV in adiabatic energy.

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