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Computational discovery of a novel automerization process for 1-fluorocyclopropene

Authors :
G. Robert Shelton
Merle A. Battiste
William R. Dolbier
John F. Stanton
David R. Price
Source :
Organic letters. 4(2)
Publication Year :
2002

Abstract

[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.

Details

ISSN :
15237060
Volume :
4
Issue :
2
Database :
OpenAIRE
Journal :
Organic letters
Accession number :
edsair.doi.dedup.....fe18d3a008c6f380af94dbc601ca1db7