The effect of fluorine substitution on ring inversion in bicyclo[1.1.0]butanes.
Degenerate ring inversion in bicyclo[1.1.0]butane and eight of its fluorinated derivatives has been studied at the B3LYP/6-311G**+ level of theory. Fluorine substitution lowers the inversion barrier impressively; reasons for this phenomenon are discussed.
Lemal
David M
DM
Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA. david.m.lemal@dartmouth.edu