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Tetraphenylene ring flip revisited.

Research paper by Steven M SM Bachrach

Indexed on: 07 Apr '09Published on: 07 Apr '09Published in: Journal of Organic Chemistry



Abstract

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).