Analysis of microwave and infrared transitions of phenol by rotation-internal rotation theory. Phenol-OD

Rotational transitions of the torsional ground and first excited state of phenol-OD have been measured in the frequency range 8–40 GHz. In a semi-rigid model approach to the internal rotation, kinetic and potential constants have been fitted to the far-infrared torsional frequencies and the microwave transition frequencies for the ground and the excited state separately. It is further shown that an acceptable agreement between observed and calculated spectra has simultaneously been obtained for the torsional ground and first excited state using the contravariant kinetic coefficients g^mn as fitting parameters.