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Electronic structure of isoxazole


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    The scheme of the levels, the molecular diagram, and the indices of the reactivity of isoxazole were calculated by the simple LCAO MO method using the Hückel approximation.

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    Within the framework of the given approximation it was shown that for radical and nucleophilic substitution reactions the reactivity of the different positions should decrease in the order 5 > 3 > 4, whereas for electrophilic substitution reactions the order should be 5,4 > 3.

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Literature cited

  1. 1.

    B. Pullman and A. Pullman, Rev. Mod. Phys.,32, N2, 428 (1960).

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Bochvar, D.A., Bagatur'yants, A.A. & Tutkevich, A.V. Electronic structure of isoxazole. Russ Chem Bull 15, 325–326 (1966).

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  • Nucleophilic Substitution
  • Substitution Reaction
  • Isoxazole
  • Electrophilic Substitution
  • Nucleophilic Substitution Reaction