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FOOF Vibrational Frequencies

Using DZV theory, several significant vibrational frequencies were predicted. Each of the buttons below represents the vibrational frequency displayed.

Shown below is an IR spectra of the only known experiment to perform this analysis⁵. In the three graphs which plot intensity vs. wavenumber, there is a strong signal between 1250-1300 cm^-1depending on the isotope of oxygen used. In the DZV calculations, there was no signal in this range, with the closest being at 1077.92 cm^-1. This is further evidence that even higher levels of theory do not always make the best predictions.

Figure 1: IR Spectra of FOOF Using Various Oxygen Isotopes

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