Tetraphenylene ring flip revisited.
The ring flip barrier of a series of benzannulated cyclooctatetraenes is investigated at B3LYP and MP2. The ring flip of tetraphenylene proceeds through a nonplanar transition state, contrary to a previous study, with a large barrier of 78.6 kcal mol(-1).
Bachrach
Steven M
SM
Department of Chemistry, Trinity University, 1 Trinity Place, San Antonio, Texas 78212, USA. sbachrach@trinity.edu