Abstract

Abstract For five β-ketols of varying substitutions, analysis of the associated v OH band, and examination of the X-ray data of analogous fragments evidence two different intramolecular association processes of weak and high energy, respectively attributed to eclipsed or bisected chelates. MM2 or semi empirical calculations do not give results quite consistent with experiment, suggesting some caution as to their use for interpreting hydrogen bonding effects in such systems.

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