A Theoretical Study on Biradicals. I. Theoretical Characteristics of Biradicals

  • Kenichi Fukui
    Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University
  • Kazuyoshi Tanaka
    Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University

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<jats:title>Abstract</jats:title> <jats:p>An interpretation is given on the characteristics of biradicaloids, such as the bonding, polar, and biradical characters of singlet biradicals. Systematization of the reactivity of singlet and triplet biradicals is based on the principle that 1) deformation takes place in the direction of bonding in singlet biradicals, and 2) deformation or bond formation occurs to separate unpaired-electrons from each other in triplet biradicals. Combination of the two principles is applied to the theory of orientation and stereoselection in excited-state reactions.</jats:p>

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