Microwave spectrum,dipole moment,and structure of anti-vinyl alcohol |
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Authors: | M. Rodler |
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Affiliation: | Chemistry Department, Monash University, Clayton, Victoria 3168, Australia |
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Abstract: | The rotational spectra of the anti conformer of vinyl alcohol (ethenol, H2CCHOH) 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 μa- and μb-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: μa = 0.547(2), μb = 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 6–31G7 level have been performed to obtain the structure, relative energy, and dipole moment of both rotamers. |
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