Molecular Orbital Studies on Nucleophilic Reactivities of Phenethyl Chlorides

염화훼네틸의 친핵반응성에 대한 분자궤도론적 연구

  • Lee, Euk-Suk (Department of Applied Chemistry, Seoul National University) ;
  • Lee, Ik-Choon (Department of Applied Chemistry, Seoul National University)
  • 이억석 (서울대학교 응용화학과) ;
  • 이익춘 (서울대학교 응용화학과)
  • Published : 1972.04.30

Abstract

Nucleophilic reactivities of 1-and 2-phenethyl chlorides have been investigated MO-theoretically using the EHT method. It has been shown that results of population analysis are consistent with the experimental order of relative nucleophilic reactivities and furthermore the reversal of the reactivity order for the less reactive nucleophile, $I^-$, could also be explained satisfactorily.

Keywords

References

  1. Bull. Chem. Soc. Japan v.42 K. Fukui;H. Hao;H. Fujimoto
  2. J. Chem. Phys. v.39 R. Hoffmann
  3. Approximate MO Theory J. A. Pople;D.L. Beveridge
  4. Valence C. A. Coulson
  5. J. Chem. Phys. v.20 M. Wolfsberg;L. Helmholtz
  6. Tables of Interatomic Distances and Configuration in Molecules and Ions no.11;18 L. E. Sutton(ed.)
  7. J. Chem. Phys. v.23 R. S. Mulliken
  8. The MO Theory of Conjugated Systems L. Salem
  9. Molecular Orbitals in Chemistry, Physics and Biology K. Fukui;P-O. Lowdin(ed.);B. Pullman(ed.)
  10. I. Lee;J. E. Yie;B.S. Lee
  11. J. Chem. Phys. v.52 R. L. Hildebrandt