Raman, infrared, fluorine NMR spectra and rotational isomerism of perfluoromethyl oxalate

Abstract

AbstractThe Raman spectra of solid and liquid perfluoromethyl oxalate and its IR spectra in the gaseous, solution (CCl4) and solid phases have been recorded. The fluorine NMR spectrum of the substance in CCl4 solution has also been obtained. A comparison of the vibrational spectra in the solid and fluid phases shows that perfluoromethyl oxalate exists in the fluid phases as a conformational mixture, whereas in the solid phase it seems to exist as a single conformer of trans‐planar C24 structure. A band assignment has been attempted for the normal vibrational modes of this conformer.