Abstract
Abstract The rotational spectra of the anti conformer of vinyl alcohol (ethenol, H 2 CCHOH) and its OD modification have been studied by microwave spectroscopy. The compounds have been generated by very-low-pressure pyrolyses of the appropriate isotopic species of 3-thietanol. In both cases the 25 measured μ a - and μ b -type transitions allowed the rotational constants and all five quartic centrifugal distortion constants to be determined. Stark effect measurements have yielded the electic dipole moment: μ a = 0.547(2), μ b = 1.702(1), and μ = 1.788(1) D. By relative intensity measurements it has been found that the vibrational ground state of the anti conformer lies 4.5±0.6 kJ mol −1 above the syn conformer. In addition, ab initio calculations at the 6–31G ∗∗ level have been performed to obtain the structure, relative energy, and dipole moment of both rotamers.
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