ANALYTIC MODELS FOR HYPERFINE STRUCTURE IN HIGH RESOLUTION SPECTRA OF $XY_{4}$ AND $XY_{6}$ MOLECULES
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Date
1981
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Ohio State University
Abstract
The $clustering^{1,2}$ of rovibrational energy levels and spectra leads to situations in which nuclear spins strongly effect molecular $states.^{3}$ Present observations and computer synthesis for parts of the $SF_{6} v_{3}$ bands by Bord’{e} et. al.,$^{4}$ have confirmed the existance of hyperfine mixing of rovibrational species. Interpretation of this type of complex spectra is possible using comparatively simple models which identify spectral patterns directly with physical mechanisms or phenomena. The models complement the numerical approach, i.e., they are not always as accurate, but they foster more physical understanding and are more likely to help one plan future experiments and applications of newly discovered effects. Analytic superhyperfine energy matrices and asymptotic eigensolutions have been worked out for each of the five common clusters in each of two different regimes one expects to find in $CF_{4}, SiF_{4}, SF_{6}$ and related $molecules.^{5,6}$ The analysis is simplified, particularily for $SF_{6}$, by the use of the powerful tableau notation and calculus and by a number of nomograms which should be useful in other spectral analyses, as well.
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$^{1}$ A. J. Dorney, and J. K. G. Watson, J. Mol. Spec. 42, 135 (1972). $^{2}$ W. G. Harter, and C. W. Patterson, J. Chem. Phys. 66, 4872 (1977). $^{3}$ W. G. Harter, and C. W. Patterson, and F. J. da Paixao, Revs. Mod. Phys. 50, 37 (1978). $^{4}$ J. Bord\'{e}, Ch. J. Bord\'{e}, C. Salomon, A. Van Lenberghe, M. Ouhayoun, and C. D. Cantrell, Phys. Rev. Lett. 45, 14 (1980). $^{5}$ W. G. Harter, and C. W. Patterson, Phys. Rev. A19, 2277 (1979). $^{6}$ W. G. Harter, Phys. Rev. A. (in press).
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