Abstract
The microwave spectra of the two mono- 13C isotopic forms of acetone are reported for the first time. Measurements were carried out from 11 to 25 GHz with a pulsed-beam Fourier-transform microwave spectrometer. Because overall rotation interacts with the internal rotations of the methyl groups, the spectra were analyzed with an effective rotational Hamiltonian for molecules with two periodic large-amplitude internal motions. In acetone-2- 13C, the methyl groups are equivalent; in acetone-1- 13C, they are not. The molecular structure has been re-examined by including rotational constant data on other isotopic forms reported previously. An equilibrium structure for acetone has been derived from the observed rotational constants and vibration–rotation constants calculated from ab initio force fields.
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