Abstract
The infrared (3200 to 20 cm-1) and Raman (3200 to 10 cm-1) spectra of gaseous and solid trans-1-fluoro-2-butene, trans-CH3HCequalsCHCH2F, and 3-fluoro-2-methylpropene, CH2equalsC(CH3)CH2F, have been recorded. Additionally, the Raman spectra of the liquids with qualitative depolarization data have also been obtained. These spectral data have been interpreted on the basis that these molecules exist in the fluid phases as a mixture of the low energy synclinal (fluorine atom oriented cis to the double bond) and high energy anticlinal (gauche) conformations. Ab initio calculations employing the RHF/6-31G* and MP2/6-31G* basis sets are consistent with the synclinal conformer being the more stable rotamers for both molecules.
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