A planarity relation for sextic centrifugal distortion constants |
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Authors: | James K.G. Watson |
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Affiliation: | Department of Chemistry, The University, Southampton SO9 5NH, England |
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Abstract: | The relations between the molecular parameters of a planar molecule are used to derive a planarity relation for the sextic centrifugal distortion constants from the recently published expressions [Aliev and Watson, J. Mol. Spectrosc.61, 29 (1976)]. This relation, which contains only the rotational constants and the quartic and sextic distortion constants, is strictly valid only for the equilibrium constants, but will be useful as a constraint in the fitting of rotational energies if the experimental error is larger than the vibrational defect. The planarity relation is compared with the observed constants for the SO2, O3, NO2, H2O, and H2S molecules. There appears to be a significant defect for SO2 and for H2O and its isotopes. The defect for SO2 may be too large to be genuine, and possibly results from truncation of the Hamiltonian at the sextic terms. |
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