The Spin Double Groups of Molecular Symmetry Groups
The energy levels of molecules are labelled, using quantum numbers and irreducible representations, in order to assist in the understanding of the effects of both intramolecular interactions and externally applied perturbations. The irreducible representations of the three-dimensional rotation group K and of the molecular symmetry (MS) group are particularly useful labels. In this paper I will discuss as examples the determination of these labels for the molecules CH3F, CH3F+ and CH3BF2 +; the two ionic molecules have an odd number of electrons and the electron spin double groups are required for them.
KeywordsElectron Spin Vibronic State Equivalent Rotation Double Group Torsional Barrier
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The spin double group