Breakdown of the Reduction of the Rovibrational Hamiltonian : the Case of S^{18}O_2F_2

Details Breakdown of the Reduction of the Rovibrational Hamiltonian : the Case of S^{18}O_2F_2 Breakdown of the Reduction of the Rovibrational Hamiltonian : the Case of S^{18}O_2F_2

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..conferh03m&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

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Microwave

Scientific paper

The ground state rotational spectrum of the near-spherical top molecule S^{18}O{_2}F{_2} (sulfuryl fluoride) has been measured from 50 to 700 GHz. As for the parent isotopologue, S^{16}O{_2}F{_2}, it was necessary to use a non-reduced Hamiltonian in order to obtain a satisfactory fit. It was possible to determine six quartic centrifugal distortion constants (instead of five for a standard asymmetric top) and an additional sextic constant could also be determined. This ground state level has also been analysed thanks to a tensorial formalism developed in Dijon. Only two tensorial sextic constants are fixed to zero, all others have been adjusted. Although S^{18}O{_2}F{_2} is less spherical than S^{16}O{_2}F{_2}, the analysis was more difficult. It is partly due to the fact that S^{18}O{_2}F{_2} is oblate whereas S^{16}O{_2}F{_2} is prolate. The experimental quartic centrifugal distortion constants were found in good agreement with those calculated from the force field, confirming the correctness of the analysis.
K. Sarka, J. Demaison, L. Margules, I. Merke, N. Heineking, H. Bürger, and H. Ruland, J. Mol. Spectrosc., 200, 55 (2000)

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