Tj. Buckley et al., IONIZATION ENERGIES, APPEARANCE ENERGIES, AND THERMOCHEMISTRY OF CF2OAND FCO, Journal of physical chemistry, 99(14), 1995, pp. 4879-4885
With the discharge flow-photoionization mass spectrometer (DF-PIMS) co
upled to the U-11 beamline at the National Synchrotron Light Source, w
e have measured the ionization energies of C2F4, CF2, and CF2O and app
earance energy of FCO+ from CF2O. The PIMS results corroborate those d
etermined by other techniques. With high-level ab initio calculations
that utilize a large basis set and isogyric corrections, we have deter
mined an ionization energy of 9.3 + 0.1 eV for FCO. At 298 K, the heat
s of formation of FCO (-152 +/- 12 kJ/mol) and FCO+ (745.3 +/- 9.6 kJ/
mol) [relative to Delta(f)H(298)(0)(CF2O) = -607.9 +/- 7.1 kJ/mol] wer
e determined and agree to within the uncertainties of other measuremen
ts but with much higher precision. We have evaluated the bond strength
s D-298(0)(F-CFO) and D-298(0)(F-CO) to be 535 +/- 12 anti 121 +/- 12
kJ/mol, respectively.