• Rita Chadha

      Articles written in Journal of Chemical Sciences

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

      Rita Chadha N K Ray

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      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.

    • MNDO study of reaction paths: Hydroboration of carbonyl systems

      Naba K Ray Rita Chadha

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      The hydroboration reactions of acetaldehyde and acetone have been investigated by the MNDO method. The reactions have been shown to be twostep reactions involving an intermediate adduct. This adduct subsequently undergoes hydrogen rearrangement. The hydroboration reactions of acetaldehyde and acetone have been compared with the corresponding reaction of formaldehyde. The charge transfer effects accompanying these reactions have also been discussed.

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