E-propene-1-thiol: vibration and rotation spectra and molecular conformation
JN Macdonald, NL Owen, M Rosolini
Index: Macdonald, John N.; Owen, Noel L.; Rosolini, M. Journal of Molecular Structure, 1987 , vol. 159, p. 229 - 242
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Abstract
Abstract Analysis of the vibration and rotation spectra together with NMR and mass spectral data for E-propene-1-thiol has shown that the molecule exists in the gas phase in a conformation with the thiol hydrogen atom in a non-planar, near anti orientation with respect to the double bond. This result is assessed in the light of ab initio predictions indicating the existence of both a syn and gauche rotameric form for the molecule.
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