THE EFFECTS OF VIBRATION-ROTATION INTERACTION ON THE QUADRUPOLE HYPERFINE-STRUCTURE OF MOLECULAR ROTATIONAL LEVELS

By using a contact transformation method similar to that commonly employed when determining higher-order corrections to the harmonic oscillator and rigid rotor energy levels of molecules, analogous centrifugal distortion and anharmonic corrections to the nuclear quadrupole coupling energies have been obtained for molecules containing one quadrupolar nucleus. The J, K dependence and v, l dependence of these higher-order corrections to the quadrupole hyperfine energies can be cast in a form which is remarkably similar to the form taken for ordinary vibrational and rotational energy corrections, a result which was not evident from earlier partial treatments of this general problem. Results are obtained here for asymmetric top, symmetric top, spherical top, and linear molecules. © 1984.