Determination of the Potential Constants of Ozone from Centrifugal Distortion Effects

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Abstract
The microwave spectrum of O3 was reanalyzed to include the effect of centrifugal distortion. Using the Kivelson‐Wilson energy expression for a semirigid rotor it was possible to fit eighteen rotational lines to within a mean deviation of ±1.4 Mc. The rotational constants determined in this manner are a=106 534.74 Mc, b=13 348.95 Mc, c=11 834.30 Mc. The four distortion constants predicted vibrational frequencies which differed by only four percent from the observed values. A sensitive determination of the potential function was made by requiring it be compatible with both the observed infrared spectrum and the distortion frequency shifts derived from the direct analysis of the rotational spectrum. The resulting force constants are: fd=5.70×105 dyne cm−1, fα/d02=1.28×105 dyne cm−1, fdα/d0=0.332×105 dyne cm−1, fdd=1.52×105 dyne cm−1. The force constants were then used to calculate distortion constants for O16O18O16 and these in turn were used to analyze its rotational spectrum.