# RAMAN SPECTROSCOPY OF THE $\nu_{1}$ AND $2\nu_{1} - \nu_{1}$ REGIONS OF $^{32}SF_{6}$ AND $^{34}SF_{6}$. EXPERIMENTAL DETERMINATION OF THE EQUILIBRIUM BOND LENGTH OF SULFUR HEXAFLUORIDE

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 Title: RAMAN SPECTROSCOPY OF THE $\nu_{1}$ AND $2\nu_{1} - \nu_{1}$ REGIONS OF $^{32}SF_{6}$ AND $^{34}SF_{6}$. EXPERIMENTAL DETERMINATION OF THE EQUILIBRIUM BOND LENGTH OF SULFUR HEXAFLUORIDE Creators: Boudon, V.; Domenech, J. L.; Bermejo, D.; Willner, H. Issue Date: 2004 Publisher: Ohio State University Abstract: The $\nu_{1}$ region of $^{32}SF_{6}$ and $^{34}SF_{6}$ has been studied by stimulated Raman spectroscopy. For both isotopomers, a detailed analysis has been performed. Several hot bands ($\nu_{1} + \nu_{6} - \nu_{6},\nu_{1} + 2\nu_{6} - 2\nu_{6},\nu_{1} + \nu_{5} - \nu_{5}$) have been taken into account to calculate synthetic spectra that satisfactorily reproduce the experimental data. These results, together with the previous studies of the other fundamental bands have allowed us to determine the equilibrium bond length of sulfur hexafluoride as $r_{e} = 1.5560(1) \AA$, in very good agreement with recent ab initio $calculations^{a}$. The $2\nu_{1} - \nu_{1}$ band has also been studied for both isotopomers by Raman-Raman double resonance spectroscopy and the resulting spectra have been analyzed. In this case, a striking difference is observed between the two isotopomers, since the $2\nu_{1} - \nu_{1}$ band of $^{34}SF_{6}$ appears to have a very narrow structure that could not be rotationally resolved under the present experimental conditions. All analyses have been performed thanks to the HTDS program suite (http://www.u-bourgogne.fr/LPUB/hTDS.html)$^{b}$ dedicated to octahedral $XY_{6}$ molecules. Description: $^{a}$ I. V. Kochikov, Y. I. Tarasov, V. P. Spiridonov, G. M. Kuramshina, A. S. Saakjan, A. G. Yagola, J. Mol. Struct., 550-551, 429-438 (2000). $^{b}$ C. Wenger, V. Boudon, J.-P. Champion, G. Pierre, J. Quant. Spectrosc. Radiat. Transfer, 66, 1-16 (2000). Author Institution: Laboratoire de Physique de l'Universit\'{e} de Bourgogne, CNRS UMR 5027, 9, Avenue Alain Savary; Instituto de Estructura de la Materia, CSIC; Fachbereich 9 - Anorganische Chemie, Bergische Universit\""{a}t Wuppertal URI: http://hdl.handle.net/1811/21181 Other Identifiers: 2004-MF-07