Computational discovery of a novel automerization process for 1-fluorocyclopropene. Academic Article uri icon


  • [reaction: see text] Both DFT and CCSD and CCSD(T) computational methods indicate that 1-fluorocyclopropene can undergo an unprecedented "electrocyclic" automerization process involving a full 180 degrees rotation of its methylene group, without the formation of an intermediate carbene or diradical.

published proceedings

  • Org Lett

author list (cited authors)

  • Dolbier, W. R., Shelton, G. R., Battiste, M. A., Stanton, J. F., & Price, D. R.

citation count

  • 4

complete list of authors

  • Dolbier, William R||Shelton, G Robert||Battiste, Merle A||Stanton, John F||Price, David R

publication date

  • January 2002