Infrared and ultraviolet spectroscopic characterization of trifluoroacetaldehyde

Trifluoroacetaldehyde, CF₃C(O)H, has been synthesized and purified, and its infrared (4000-600cm^-1) and ultraviolet (400-230nm) spectra have been measured. The assignments of the vibration frequencies have been re-examined with the aid of ab initio Hartree-Fock frequency and intensity calculations. A normal coordinate analysis has also been performed with a force field determined at the MP2/6-31G* level. Additionally, the complete equilibrium geometry has been determined at the MP2/6-31G* level and compared to the experimental structure. Peak and integrated absorption cross-sections of the ν₁, ν₂, ν₄ and ν₆ fundamental infrared bands of trifluoroacetaldehyde have been measured at 298 K. Ultraviolet absorption cross-sections (230 - 400 nm) have been measured.