Abstract

A mathematical formalism is developed to evaluate all the possible sets of intramolecular force fields fitting fundamental vibrational frequencies and centrifugal distortion constants in the case ofXY 3 pyramidal type molecules. The method is applied to PF3 molecule as an example. It is found that there exist as many as four sets of force field fitting all the above experimental data. A few general criteria are suggested to eliminate the suprious sets, thus making further experimental data unnecessary to fix the true physical force field.

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