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

Files Size Format View
abstract.gif 25.48Kb GIF image

 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 Publisher: Ohio State University 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. Description: K. ~Sarka, J.~Demaison, L.~Margules, I.~Merke, N.~Heineking, H.~Burger, and H.~Ruland, {\textit {J. Mol. Spectrosc. Author Institution: Laboratoire PhLAM, CNRS UMR 8523, Universite de Lille 1, Bat. P5, 59655 Villeneuve d'Ascq Cedex, France.; Laboratoire Inter Universitaire des Systemes Atmospheriques, CNRS UMR 7583, Universite Paris 12, 61 Av du General de Gaulle, 94010 Creteil Cedex France; Institute fur Physikalische Chemie, RWTH Aachen, 52056 Aachen, Germany; Anorganische Chemie, FB C, Universitat-GH Wuppertal, 42097 Wuppertal, Germany; Groupe de Spectrom trie Moleculaire et Atmosph rique, CNRS UMR 6089, Moulin de la Housse, BP 1039, Cases 16-17, 51687 Reims Cedex 2, France; Institut Carnot de Bourgogne, UMR CNRS 5209, 9 avenue Alain Savary, BP 47870, 21078 Dijon Cedex, France URI: http://hdl.handle.net/1811/38095 Other Identifiers: 2009-RH-03