Abstract
General Coriolis zeta sums are derived for all molecules belonging to tetrahedral, octahedral, and icosahedral point groups. For all infrared-active species, the zeta sum is given by ∑ ζi=m0+12(δr+δg+1)m−12(δr+2), where m0=1 or 0 depending on whether or not a central atom is present; m is the number of sets of equivalent nuclei on threefold or higher symmetry axes, but not on all symmetry elements; δr=1 or 0 depending on whether or not the rigid rotations belong to the infrared-active representation; and δg=1 for Point Group Th and zero for all other point groups. Several related matters are considered, including the definition of the signs of individual zetas. The application of these zeta sums to the analysis of vibrational spectra is treated briefly, especially with regard to the contours of unresolved bands.
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