SIMPLIFIED MODELING OF HIGH-J FAR-INFRARED AND MICROWAVE SPECTRA OF TETRAHEDRAL $XY_{4}$ MOLECULES

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Title: SIMPLIFIED MODELING OF HIGH-J FAR-INFRARED AND MICROWAVE SPECTRA OF TETRAHEDRAL $XY_{4}$ MOLECULES
Creators: Patterson, C. W.; Krohn, B. J.
Issue Date: 1979
Publisher: Ohio State University
Abstract: We use the $C_{3}$ and $C_{4}$ symmetric-top representations $^{1,2}$ for rapidly rotating spherical-top molecules to approximate the clustered values of $F_{3}$ and diagonal $F^{4}-$ coefficients with 3-J symbols. These coefficients then specify the intensities and wavenumbers, respectively, of absorption lines for the ``forbidden’’ pure rotational transitions in the vibrational ground state of tetrahedral $XY_{4}$ molecules. We predict the absorption to be strongest for those states which correspond to rotation about the $C_{3}$ axes, and which satisfy the selection rule $\Delta K = 0, \pm 3$, Model spectra for $\Delta J = +1$ (far-infrared) and $\Delta J = 0$ (microwave) transitions will be shown.
Description: $^{1}$ W. G. Harter and C. W. Patterson, J. Chem. Phys. 66, 4872-4885 (1977); C. W. Patterson and W. G. Harter, J. Chem. Phys. 66, 4886-4892 (1977). $^{2}$ H. W. Galbraith, C. W. Patterson, B. J. Krohn, and W. G. Harter, J. Mol. Spectrosc. 73, 475-493 (1978).
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URI: http://hdl.handle.net/1811/10968
Other Identifiers: 1979-TA-01
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