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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

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/21181

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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
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.
URI: http://hdl.handle.net/1811/21181
Other Identifiers: 2004-MF-07
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