Abstract
Microwave spectra of CH 3COCOOH and CH 3COCOOD are reported. The preferred conformation of the molecule is demonstrated to possess a planar HCCOCOOH skeleton with two out-of-plane hydrogens. The two carbonyl groups are trans to each other and a weak five-membered hydrogen bond is formed between the carboxyl group hydrogen atom and the carbonyl group oxygen atom. The methyl group conformation is discussed. A computer programme based on “the principal axis method” is described in some detail and the results of a least squares analysis of the observed spectra are outlined. The barrier to internal rotation was determined as V 3 = 965±40 cal mol −1 for both isotopic species. Stark effect measurements yielded μ a = 2.27±0.02 D, μ b = 0.35±0.02 D and μ tot = 2.30±0.03 D for the dipole moment and its components along the principal axes.
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