Abstract
The restricted rotation of p-tolyl moiety in 5,5-dimethyl-3,4-di- p-tolyl-2-cyclopenten-1-one was studied by variable temperature NMR spectroscopy at a temperature range of 218–368 K. A free rotation, in NMR time scale, was observed at temperatures higher than 368 K; while, the rotation froze below 248 K. From dynamic NMR analysis, the Arrhenius energy of activation Δ G ‡ was calculated as 56.37 kJ mol −1. The experimental results were confirmed by theoretical calculation using the density functional theory method B3LYP with basis sets, 6-31G and 6-31+G.
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