• Photocycloaddition of coumarin and carbostyril to olefins—An intermolecular orbital study

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      https://www.ias.ac.in/article/fulltext/jcsc/089/06/0539-0547

    • Keywords

       

      Photocycloaddition; reaction pathways; molecular orbital study; coumarins; carbostyrils; olefins

    • Abstract

       

      The intermolecular orbital theory of Salem has been used to study the photocycloaddition reactions of coumarin and carbostyril with 1-methoxy ethylene. Theoretical pathways have been drawn for the reactions and the magnitude of the ◊-electron stabilisation energy for the reactions has been calculated. All possible cycloaddition patterns have been examined and the relative importance of various interaction terms is discussed. Results of our calculations suggest that the bonds close in a concerted but asymmetric manner. The calculated regioselectivity correlates well with experimental data.

    • Author Affiliations

       

      Rita Chadha1 N K Ray1

      1. Chemistry Department, University of Delhi, Delhi - 110 007, India
    • Dates

       
  • Journal of Chemical Sciences | News

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