Abstract
A derivation for the formulas to calculate centrifugal distortion constants, based on a recent formulation [Duan and Takagi, Phys. Lett. A (1995)] of centrifugal distortion effects for a molecule containing a threefold symmetric internal rotor, is presented. Some constants which are independent of the barrier derivatives, especially the constants representing interactions between torsion and rotation, are given in terms of molecular structural parameters and force constants. These calculated constants are helpful in the reduction of the Hamiltonian and in the analysis of observed transitions. The derived formulas are applied to numerical calculations of the centrifugal distortion constants of methanol. It is shown that most of the calculated constants are in good agreement with those obtained from the fitting to experimental data.
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