Abstract
Structures and decomposition pathways of carbenoids HXC=CLiF (X=H, F) have been studied using the RHF/3-216 gradient method. H 2C=CLiF has one detectable structure (1) and decomposes via FBW rearrangement. HFC=CLiF has two detectable structures ( 6 and 8) and decomposes via FBW rearrangement or cis β-elimination. The fluoro substituent yields a stable four-membered ring structure, stabilizes the three-membered ringstructures and retards FBW rearrangement.
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