SYMMETRY-ADAPTED TENSORIAL FORMALISM FOR THE SPECTROSCOPY OF THE $SO_{2}F_{2}$ QUASISPHERICAL TOP: APPLICATION TO THE BENDING TRIAD

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Title: SYMMETRY-ADAPTED TENSORIAL FORMALISM FOR THE SPECTROSCOPY OF THE $SO_{2}F_{2}$ QUASISPHERICAL TOP: APPLICATION TO THE BENDING TRIAD
Creators: Rotger, M.; Boudon, V.; Loete, M.; Loete-Zvereva, N.
Issue Date: 2004
Publisher: Ohio State University
Abstract: The techniques of symmetry-adapted tensorial formalism and of vibrational extrapolation developed since many years by the Dijon group have proved their efficiency for the spectroscopy of spherical-top molecules $(CH_{4}, SF_{6},\cdots)$. We have extended these methods to the case of quasi-spherical tops such as $SO_{2}F_{2}^{a}$. This model has been used recently to perform the analysis of the ground state of this $molecule^{b}$. We present here a preliminary study concerning the analysis of the $\nu_{3}/\nu_{7}/\nu_{9}$ bending triad in the $550 cm^{-1}$ region. These results are compared to those obtained with the usual asymmetric-top $approach^{c}$. A set of programs for spectrum calculations and fits named $C_{2\nu}$ TDS has been used and is freely available at the URL: http://www.u-bourgogne.fr/LPUB/c2vTDS.html
Description: $^{a}$M. Rotger, V. Boudon and M. Lo\'{e}te, J. Mol. Spectrosc., 216, 297-307, (2002). $^{b}$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., 222, 172-179, (2003). $^{c}$H. B\""{u}rger, J. Demaison, F. Hegelund, L. Margul\""{e}s, I. Merke, J. Mol. Struct., 612, 133-141, (2002).
Author Institution: Laboratoire de Physique de l'Universit\'{e} de Bourgogne
URI: http://hdl.handle.net/1811/21201
Other Identifiers: 2004-MH-04
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