Broadband Transient Infrared Laser Spectroscopy of Trifluorovinyl Radical, C2F3: Experimental and ab Initio Results

Article abstract of DOI:10.1021/j100160a052

The trifluorovinyl radical (C2F3) is identified by using infrared spetroscopy.Real-time broadband infrared laser and diode infrared laser absorption spectra of the trifluorovinyl radical were measured.The radical was generated from UV laser photolysis of trifluoroiodoethene(C2F3I) at248 nm in the gas phase.The observed vibrational frequencies and intensities <ν₂, 1290 (+/- 5) cm^-1, 106 (+/- 39) km mol^-1; and ν₃, 1225 (+/- 5) cm^-1, 119 (+/- 41) km mol^-1> are in good agreement with ab initio values calculated in this work.Pseudo-first-order decay kinetics of the transient vibrational bands were observed.Analysis of the photoproducts with Fourier transform infrared spectroscopy showed that 1,3-hexafluorobutadiene (C4F6) was present in high concentration.It was probably formed from the reaction of trifluorovinyl radical with trifluoroiodoethene, as is consistent with the observed kinetics.