Brown, L. R.

Ivanova, Y. A.

Nikitin, Andrei V.

Rey, Michaël

Tashkun, Sergey A.

Tyuterev, Vladimir G.

English

Tomsk State University Repository

Present status and perspectives of line-by-line analysis of the PH3 absorption spectrum in the Octad range between 2800 and 3600 cm-1

HRMS, 24th Colloquium, Dijon, France, 24 - 28 Aug, 2015PRESENT STATUS AND PERSPECTIVES OF LINE-BY-LINE ANALYSESOF THE PH3 ABSORPTION SPECTRUM IN THE OCTAD RANGEBETWEEN 2800 AND 3600 cm−1A. V. NIKITIN, Tomsk State University, 36 Lenin Avenue, 634050 Tomsk, RussianFederation and V.E. Zuev Institute of Atmospheric Optics SB RAS, 1, AkademicianZuev square, 634021 Tomsk, Russia; Y. A. IVANOVA, Tomsk State University, 36Lenin Avenue, 634050 Tomsk, Russian Federation; M. REY, Vl.G. TYUTEREV,Groupe de Spectrome´trie Mole´culaire et Atmosphe´rique, UMR CNRS 7331, UFRSciences BP 1039, 51687 Reims Cedex 2, France; L.R. BROWN, Jet PropulsionLaboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena,CA 91109, USAA new study of PH3 line positions and intensities was performed for the lowerportion of the Octad region 1 between 2800 and 3600 cm-1 using high resolutionFourier transform spectra. Line positions and intensities were retrieved by leastsquare curve-fitting procedures and analyzed using the ab initio based effective Hamil-tonian 2 and the effective Dipole moment expressed in terms of irreducible tensoroperators adapted to spherical top molecules. A new measured line list producedpositions and intensities for more 7200 features. Assignments were made for 60 pro-cents of these; 4500 experimental line positions and 1300 selected line intensitieswere fitted with RMS standard deviations of 0.006 cm-1 and 15 procents, respec-tively. The sum of calculated intensities between 2700 and 3650 cm-1 is in a goodagreement with HITRAN20123 and is 5-13% lower than sum of calculated intensitiesfrom different ab initio dipole moment surfaces 4. The integrated intensities of lowerpolyads was calculated.This work is supported by French-Russian LIA SAMIA. A. V. NIKITIN andY. A. IVANOVA thanks the Tomsk State University and Academic D.I. MendeleevFund Program. Part of the research described in this paper was performed at the JetPropulsion Laboratory, California Institute of Technology, NASA Langley ResearchCenter, and Connecticut College, under contracts and cooperative agreements withthe National Aeronautics and Space Administration.1doi:doi:10.1016/j.jms.2009.01.008, A.V. Nikitin, J.-P. Champion, R.A.H. Butler, L.R. Brown, I.Kleiner, J. Molec. Spectrosc. , 256, 4–16 (2011).2doi:10.1021/jp408116j, Vl.G. Tyuterev, S.A. Tashkun, M.Rey, R.V. Kochanov, A.V. Nikitin, T.Delahaye, J.Phys.Chem. A, 117, 13779–13805 (2013).3doi:10.1016/j.jqsrt.2013.07.002, L.S. Rothman, I.E. Gordon, Y. Babikov, A. Barbe, D. Chris Ben-ner, P.F. Bernath, J. Quant. Spectrosc. Radiat. Transfer, 130, 4–50 (2013).4doi:10.1016/j.jms.2014.09.010, A.V. Nikitin, M.Rey, Vl.G. Tyuterev, J. Molec. Spectrosc., 305,40–47 (2014).p-number: p212 Submitted on Mon Jun 15 15:49:27 CEST 2015

Present status and perspectives of line-by-line analyses of the PH3 absorption spectrum in the Octad range between 2800 and 3600 cm-1

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Present status and perspectives of line-by-line analyses of the PH3 absorption spectrum in the Octad range between 2800 and 3600 cm-1

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