Bulletin of the Korean Chemical Society

  • 제10권3호
  • /
  • Pages.289-292
  • /
  • 1989
  • /
  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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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)
  • 발행 : 1989.06.20
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초록

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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참고문헌

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