Conformations of vinyl formate and vinyl acetate

descriptionPublicationkeyboard_double_arrow_right Article 01 Mar 1976 English Publisher:CSIRO PublishingJournal:Australian Journal of Chemistry, volume 29, pages 581-587 (issn: 0004-9425, eissn: 1445-0038,

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Authors: MJ Aroney; EAW Bruce; IG John; L Radom; GLD Ritchie;

doi: 10.1071/ch9760581

Conformations of vinyl formate and vinyl acetate

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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 (1027mK/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.

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