Strain energies of gem-difluorocyclopropanes and related molecules

Authors

Arthur Greenberg, New Jersey Institute of Technology
Joel F. Liebman, University of Maryland, Baltimore County (UMBC)
William R. Dolbier, College of Liberal Arts and Sciences
Karl S. Medinger, College of Liberal Arts and Sciences
Anne Skancke, UiT Norges Arktiske Universitet

Document Type

Article

Publication Date

1-1-1983

Abstract

Ab initia calculations using the 4-31G basis set are employed to evaluate strain energies of gem-difluoro derivatives of cyclopropane. The increased strain energies of these molecules account for the relative ease of their thermal rearrangements. Similarities between gem-difluoro, carbonyl and carbocationic centers are explored. The strain energy of hexafluorocyclopropane is almost triple that in cyclopropane while the strain in octafluorocyclobutane is less than double that in cyclobutane. © 1983.

Identifier

0001173279 (Scopus)

Publication Title

Tetrahedron

External Full Text Location

https://doi.org/10.1016/S0040-4020(01)88559-8

ISSN

00404020

First Page

1533

Last Page

1538

Issue

9

Volume

39

Recommended Citation

Greenberg, Arthur; Liebman, Joel F.; Dolbier, William R.; Medinger, Karl S.; and Skancke, Anne, "Strain energies of gem-difluorocyclopropanes and related molecules" (1983). Faculty Publications. 21324.
https://digitalcommons.njit.edu/fac_pubs/21324