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BREAKDOWN OF THE REDUCTION OF THE ROVIBRATIONAL HAMILTONIAN : THE CASE OF S$^{18}$O$_2$F$_2$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/38095

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Title: BREAKDOWN OF THE REDUCTION OF THE ROVIBRATIONAL HAMILTONIAN : THE CASE OF S$^{18}$O$_2$F$_2$
Creators: Margules, L.; Demaison, J.; Perrin, A.; Merke, I.; Willner, H.; Rotger, M.; Boudon, V.
Issue Date: 2009
Abstract: 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${_2}$}, {\textbf{200}}, 55 (2000)}, 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.
URI: http://hdl.handle.net/1811/38095
Other Identifiers: 2009-RH-03
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