• Should bond-formation lag behind bond-cleavage in radical-exchange reactions?

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/111/04/0589-0600

    • Keywords

       

      Bond-cleavage; bond-formation; free valence; asynchronous reaction

    • Abstract

       

      A few simple concerted radical-exchange reactions (A + BC →AB + C) are examined by the quantum-mechanicalab initio methods via calculations of bond orders and energies. Results reveal that, during these reactions, a small free valence develops on the migrating atom. As a result, the degree of bond-cleavage is more advanced than that of bond-formation with a common migrating atom at the transition state. The fact that bond-formation lags behind bond-cleavage is also examined by the configuration mixing of the reactant configurations at the early stages of the reaction.

    • Author Affiliations

       

      Asish K Chandra1

      1. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore - 560 012, India
    • Dates

       
  • Journal of Chemical Sciences | News

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