• Title of article

    Computational modeling of isotropic electron paramagnetic resonance spectra of doublet state main group radicals

  • Author/Authors

    Heikki M. Tuononen، نويسنده , , Tristram Chivers، نويسنده , , Andrea Armstrong، نويسنده , , Chantall Fedorchuk، نويسنده , , René T. Boeré، نويسنده ,

  • Issue Information
    دوفصلنامه با شماره پیاپی سال 2007
  • Pages
    11
  • From page
    2705
  • To page
    2715
  • Abstract
    The combined use of theoretical and mathematical methods in the analysis of electron paramagnetic resonance data has greatly increased the ability to interpret even the most complex spectra reported for doublet state inorganic main group radicals. This personal account summarizes the theoretical basis of such an approach and provides an in-depth discussion of some recent illustrative examples of the utilization of this methodology in practical applications. The emphasis is on displaying the enormous potential embodied within the approach.
  • Keywords
    Spectral simulation , DFT calculations , EPR spectroscopy , Main group radicals
  • Journal title
    Journal of Organometallic Chemistry
  • Serial Year
    2007
  • Journal title
    Journal of Organometallic Chemistry
  • Record number

    1377792