Please use this identifier to cite or link to this item:

Show full item record

Files Size Format View
2003-TF-15.jpg 309.9Kb JPEG image Thumbnail of THE GROUND STATE ROTATIONAL SPECTRUM OF $SO_{2}F_{2}$.

Creators: Rotger, M.; Boudon, V.; Loete, M.; Margules, L.; Demaison, J.; Mäder, H.; Winnewisser, G.; Müller, Holger S. P.
Issue Date: 2003
Publisher: Ohio State University
Abstract: The analysis of the ground state rotational spectrum of $SO_{2}F_{2}^{a}$ has been performed with the Watson's Hamiltonian up to sextic terms but shows some limits due to the A and S reductions. Since $SO_{2}F_{2}$ is a quasi-spherical top, it can also be regarded as derived from an hypothetical $XY_{4}$ molecule. Thus we have developped a new tensorial formalism in the $O(3) \supset T_{d} \supset C_{2v}$ group $chain^{b}$. We test it on the ground state of this molecule using the same experimental $data^{c}$ (0-1 THz region, J up to 99). Both fits are comparable even if the formalisms are slightly different. This talk intends to establish a link between the classical approach and the tensorial formalism. In particular, our tensorial parameters at a given order of the development are related to the usual ones. Programs for spectrum simulation and fit using these methods are named $C_{2v}$ TDS. They are freely available at the URL:
Description: $^{a}$K. Sarka, J. Demaison, L. Margul\`{e}s, I. Merke, N. Heineking, H. B\""{u}rger and H. Ruland, J. Mol. Spectrosc., 200, 55-64, (2000). $^{b}$M. Rotger, V. Boudon and M. Lo\""{e}te, J. Mol. Spectrosc., 216, 297-307, (2002). $^{c}$M. Rotger, V. Boudon, M. Lo\""{e}te, L. Margul\`{e}s, J. Demaison, H. M\""{a}der, G. Winnewisser and H.S.P. M\""{u}ller, J. Mol. Spectrosc., in preparation, (2003).
Author Institution: Laboratoire de Physique de I'Universit\'{e} de Bourgogne; Laboratoire de Physique, Atomes et Mol\'{e}cules, CNRS UMR 8523, Universit\'{e} de Lille I; Institut f\""{u}r Physikalische Chemie, Universit\""{a}t Kiel; Physikalisches Institut, Universit\""{a}t zu K\""{o}ln
Other Identifiers: 2003-TF-15
Bookmark and Share