Conformations of vinyl formate and vinyl acetate

Abstract

Ab initio molecular orbital theory has been used to deduce the preferred gas-phase conformations of vinyl formate and vinyl acetate. In addition, experimental dipole moments (10³⁰μ/Cm) and molar Kerr constants (10²⁷_mK/m⁵ V^-2 mol^-1) at 25ºC are reported for both molecules as solutes in carbon tetrachloride: vinyl formate (5.07, + 48.1) and vinyl acetate (5.70, + 3.8). The preferred solution-state conformations indicated by the analysis of these results are shown to be consistent with the theoretical predictions.