Determination of Reactivities by Molecular Orbital Theory Part IV. Application of IMO Method to some Thermal Diels-Alder Reactions

  • Chang Hoon Park (Department of Applied Chemistry, College of Engineering, Seoul National University) ;
  • Ikchoon Lee (Department of Applied Chemistry, College of Engineering, Seoul National University)
  • Published : 1972.06.30

Abstract

The intermolecular orbital theory was applied to the Diels-Alder reaction of naphthalene, phenanthrene and 1,2-benzanthracene with maleic anhydride. The expected positions of thermal addition in the alternant bydrocarbons were in agreement with experiment. It was also possible to explain the relative proportions of two isomeric adducts with the calculated stabilization energies. Comparison of the results with paralocalization energies of Brown gave agood linear correlation.

Keywords

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