Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

134 Poster session, H21High Resolution infrared and Raman Spectroscopy of 192 OsO 4Maud Louviot 1 , Vincent Boudon 1 , Laurent Manceron 2 , Dionisio Bermejo 3 , Raúl Z.Martínez 31 Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS-Université deBourgogne, 9 Avenue Alain Savary, BP 47870, F-21078 Dijon Cedex, France,Vincent.Boudon@u-bourgogne.fr; 2 Laboratoire de Dynamique, Interactions etRéactivité, CNRS UMR 7075, 4 Place Jussieu, F-75252 Paris Cedex, France,laurent.manceron@synchrotron-soleil.fr; 3 Instituto de Estructura de la Materia, CSIC,Serrano 123, 28006 Madrid, Spain, dbermejo@iem.cfmac.csic.esLouviot M.Boudon V.Manceron L.Bermejo D.Martinez R.Z.The 192 OsO 4 tetrahedral molecule was synthesized in order to perform monoisotopicinfrared spectra of the ν 3 stretching band and the ν 2 /ν 4 bending dyad. Those spectrawere obtained at the SOLEIL synchrotron while a stimulated Raman spectrum of the ν 1band (natural abundance) was recorded at the Instituto de Estructura de la Materia. Lineassignments and analysis were performed thanks to the SPVIEW and XTDS softwares 1in Dijon.The first aim was to complete our previous study 2 on the ν 1 /ν 3 stretching dyad infraredspectrum obtained from a natural abundance sample. Moreover, the ν 2 /ν 4 region hasnever been analysed before because it lies in the far infrared region. Its huge line densitymakes its assignments and analysis particularly difficult. In this case we could obtain apreliminary but satisfying analysis.The study of both dyads allows us to estimate the Os-O bond length value atequilibrium based on Hamiltonian parameters. This result could serve as a benchmarkfor quantum chemistry calculations for molecules containing heavy transition metalelements.Fig. 1: Part of the P branch of the ν 3 band of 192 OsO 4 , compared to simulation.References[1] V. Boudon, J.P. Champion, T. Gabard, M. Loëte, F. Michelot, G. Pierre, M. Rotger,Ch. Wenger, M. Rey, J Mol. Spectrosc. 228, 620–634, 2004[2] M. Louviot, V. Boudon, L. Manceron, P. Roy, D. Balcon, J. Quant. Spectrosc.Radiat. Transfer. 113, 119–127, 2012