1. S&MPO linelist of 16 O 3 in the range 6000 – 7000 cm -1. M.-R. De Backer-Barilly #, Semen N. Mikhailenko*, Yurii Babikov*, Alain Campargue §, Samir Kassi §, Vladimir G. Tyuterev #, and Alain Barbe # # Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 6089, Université de Reims Champagne Ardenne, Moulin de la Housse, BP 1039 - 51687 REIMS Cedex 2 France * Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics, SB RAS, 634055 TOMSK, Russia § Laboratoire de Spectrométrie Physique, UMR CNRS 5588, Université Joseph Fourier, BP 87 -38402 Grenoble, France Introduction 1.M.-R. De Backer-Barilly, A. Barbe, Vl. G. Tyuterev, D. Romanini, B. Moeskops, and A. Campargue, Journal of Molecular structure, vol. 780-781, 225-233, (2006). “Fourier transform and high sensitivity cw-cavity ringdown absorption spectroscopies of ozone in the 6030 - 6130 cm -1 region. First observation and analysis of the 3 1 +3 3 and 2 2 +5 3 bands” 2.A. Campargue, S. Kassi, D. Romanini, A. Barbe, M.-R. De Backer-Barilly, Vl. G. Tyuterev, Journal of Molecular Spectroscopy, 240 (1), 1-13, (2006). “CW-Cavity Ring Down Spectroscopy of the ozone molecule in the 6625-6830 cm -1 region”. 3.A. Barbe, M.-R. De Backer-Barilly, Vl. G. Tyuterev, A. Campargue, D. Romanini, and S. Kassi, Journal of Molecular Spectroscopy, 242 (2), 156-175, (2007), “CW-Cavity Ring Down Spectroscopy of the ozone molecule in the 5980-6280 cm -1 region”. 4.A. Barbe, M.-R. De Backer-Barilly, Vl. G. Tyuterev, A. Campargue, D. Romanini, and S. Kassi, Journal of Molecular Spectroscopy, 246 (1), 22-38, (2007). “CW-Cavity Ring Down Spectroscopy of the ozone molecule in the 6220-6400 cm-1 region”. 5.S.Kassi, A. Campargue, M.-R. De Backer-Barilly and A. Barbe, Journal of Molecular Spectroscopy, 244 (2), 122-129, (2007), “The 1 +3 2 +3 3 and 4 1 + 2 + 3 bands of ozone by CW-Cavity Ring Down Spectroscopy between 5900 and 5960 cm -1 ”. 6.A. Campargue, A. Barbe, M.R. De Backer-Barilly, Vl.G. Tyuterev, S. Kassi, Physical Chemistry Chemical Physics, 10 (20), 2925-2946, (2008), “The near infrared spectrum of ozone by CW-cavity ring down spectroscopy between 5850 and 7000 cm -1 : new observations and exhaustive review”. S&MPO is the abbreviation of “Spectroscopy and Molecular Properties of Ozone”. (http://ozone.iao.ru and http://ozone.univ-reims.fr * )http://ozone.iao.ruhttp://ozone.univ-reims.fr * * at present, in maintenance  S&MPO is an interactive graphical information system accessible via Internet.  S&MPO is concerned with the ozone molecule and its isotopologues.  S&MPO contains information on molecular properties. It includes 3D and contour plots for accurate potential energy surface in the electronic ground state and for full vibrational wavefunctions with a coordinate choice on user’s request, global predictions of vibrational levels for its isotopic species, dipole moment surfaces, centrifugal distortion, transition moments parameters, references etc.  S&MPO is essentially based on experimental and theoretical joint research of two laboratories GSMA (Reims, France) and LTS (Tomsk, Russia), complemented with some results of larger collaborations and with information available in spectroscopic literature. What is S&MPO ? Summary of the obtained results Intensities are given in cm -1 /(molecule.cm -2 ) at 296K. The linelists correspond to transitions to the experimentally determined energy levels, keeping calculated intensities from effective transition moment parameters.  self and  air are those of the fundamental 1 and 3 bands, respectively for B and A type bands. Example of line listing for the 2 2 +5 3, 1 +2 2 +4 3 and 5  + 3 bands Example of agreements between observed and calculated spectra a Difference between the vibrational energy values obtained from the experimental data reduction with variational predictions calculated from the PES of Ref. [a]. b Major contribution for the decomposition of corresponding wave functions derived from the potential function [a, b] in normal mode coordinates q 1, q 2, q 3 using 10 th order Contact Transformations [c]. The subscript “0” of (v 1 v 2 v 3 ) 0 means the normal mode representation. c Integrated band strength calculated as the sum of the line strengths of the transitions rovibrationally assigned In the 6280-6400 cm -1 spectral range In the 6540-6600 cm -1 spectral range Around 6989 cm -1 6400 6600 6800 6000 6200 105 223/133 025 501 223/313 421 205 233/143 520 034 510 124/232 124/430 430 331 242 035/063 133 411 6800 7000 511 233/035 Observed band centers (cm -1 ) 044 TOTAL : 6796 1.0 0.0 0.4 0.0 0.8 This work represents the implementation of the linelists resulting from theoretical analyses and modelisations of the infrared spectra of 16 O 3 in the spectral range between 6000 and 7000 cm -1 recorded with the CW-CRDS spectrometer in Grenoble. (Authors thank VAMDC EU Project for its financial support) These studies have been published in details in the following references : Potential functions used for theoretical predictions: [a] Vl.G Tyuterev, S.A. Tashkun, P. Jensen, A. Barbe, T. Cours, J. Mol. Spectrosc. 198 (1999) 57-76 [b] Vl.G Tyuterev, S.A. Tashkun, D.W. Schwenke, P.Jensen, T. Cours, A. Barbe, M. Jacon, Chem.Phys.Lett. 316, (2000) 271-279 [c] Vl.G. Tyuterev, S. A. Tashkun, H.Seghir, to be published