Abstract
The relationship between the 1-type doubling constant qe and the centrifugal distortion constant De and the range of real values of qe for XYZ (C∞v) type molecules, is derived in detail. The experimental value of qe for many molecules is found to be in the neighbourhood of its minimum. The usefulness of qe in fixing a unique and accurate force field for XYZ (C∞v)type molecules is also discussed. A brief discussion of the nature of the errors arising due to the use of Dv , BV and υi in the calculation (for qe) is presented. The study of the mass effect on qe is also reported.
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