Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Semiempirical MNDO Calculations for Halocyclopentynes

  • Han, In-Youl (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • Lee, Yoon-Sup (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • Kim, Ja-Hong (Department of Chemistry Education, Chonbuk National University)
  • Published : 1989.06.20
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Abstract

Electronic structures and ethylene addition reaction for halocyclopentynes are investigated using MNDO method. Electronic effects due to the halogen substitution are very small for halocyclopentynes. Fluorocyclopentyne is slightly more stable than cyclopentyne and other halocyclopentynes, but reactivities for cycloaddition reactions are about the same for all halocyclopentynes and cyclopentyne. Stabilization effect is substantial for hexafluorocyclopentyne.

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References

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