Orbital level splitting in octahedral symmetry and SF6 rotational spectra. I. Qualitative features of high <i>J</i> levels

Abstract

The interesting qualitative features of octahedral symmetry splitting of orbital levels with large angular momentum are derived using a simple quantum mechanical model. The clustering of certain octahedral group representations which has recently been observed in high resolution SF6 spectra is explained in detail. Semiquantitative formulas for splitting of the clusters are derived. An analogy with electron energy bands and Bloch waves is shown. The groundwork is laid for a quantitative theory which is given in the following article.