Correction and Addition to “Vibrational Anharmonicities and Reactivity of Tetrafluoroethylene”

Due to a misunderstanding in the proof corrections, many calculated anharmonicities in Table 2 cannot be distinguished from the spectroscopic ones. This table is therefore reproduced here once more. Table 2 Anharmonic Constants xij (cm–1) of 12C2F4a In the meantime, we were able to calculate at the same level (MP2/cc-pVTZ) as the anharmonicities the Fermi resonance terms (interaction matrix elements between the levels) that were derived from the spectra in the original paper. We compare the two sets briefly (Table A). The large FR1 is confirmed and FR2 is even larger than the preliminary experimental value (possibly because our model did not include the other interactions). The other interactions are small, in particular FR3, as also concluded from the spectra. Table A Fermi Interaction Terms (cm–1)