Frame transformation relations and symmetry analysis of fluxional symmetric rotor dimers (Q350646)

Summary: The theory of Frame transformation relations between the states of Born Oppenheimer and the weak coupling approximations is developed for polyatomic molecules. The symmetry relations are a generalization of the frame transformation relations derived by Harter and Crogman for coupled rotor molecules. A key internal symmetry label (named ``soul'') is defined so that it remains a constant label for frame transformation relations, and is conserved during vibronic transitions, ionization, and even dissociation provided the nuclear spin-rotation interaction is relatively small. Simplified procedures are given for obtaining selection rules, statistical weights, and matrix elements of multipole operators for common molecules having various point symmetries.