HRMS 2015, Dijon, France, August 24-28, 2015Peer Reviewe

Alkadrou, A.

Bermejo, Dionisio

Boudon, V.

Rotger, M.

Digital.CSIC

HRMS, 24th Colloquium, Dijon, France, 24 - 28 Aug, 2015HIGH-RESOLUTION STIMULATED RAMAN SPECTROSCOPYANDANALYSIS OF ν2 AND ν3 BANDS OF of 13C2H4 USING THED2h TOPDATA SYSTEMA. ALKADROU, M. ROTGER, Groupe de Spectrome´trie Mole´culaire etAtmosphe´rique, UMR 7331 CNRS-Universite´ de Reims Champagne-Ardenne,Reims, France; D. BERMEJO, Instituto de Estructura de la Materia, CSIC,Serrano 123, 28006-Madrid, SPAIN; V. BOUDON, Laboratoire InterdisciplinaireCarnot de Bourgogne, UMR 6303 CNRS-Universite´ de Bourgogne, FranceHigh resolution stimulated Raman spectra of 13C2H4 in the regions of the ν2 andν3 Raman active modes have been recorded at room temperature (296 K) based onthe quasi continuous-wave (cw) stimulated Raman spectrometer at Instituto de Es-tructura de la Materia (CSIC) in Madrid. A tensorial formalism adapted to X2Y4planar asymmetric tops with D2h symmetry has been developed in Dijon1 and a pro-gram suite calledD2hTDS (now part of the XTDS/SPVIEWspectroscopic software2was proposed to calculate their high-resolution spectra3. The effective Hamiltonianoperator, involving a polyad structure, and transition moment (dipole moment andpolarizability) operators can be systematically expanded to carry out global analysesof many rovibrational bands. A total of 172 and 65 lines corresponding to ν2 and ν3Raman active modes have been assigned and fitted in frequency with a global rootmean square deviation of 2.0× 10−4 cm−1. and 2.3× 10−4 cm−1, respectively. Thefigure below shows the stimulated Raman spectrum of the ν2 band of 13C2H4, com-pared to the simulation at 296 k.1doi:10.1016/s0022-2852(02)00038-3, W. Raballand , M. Rotger, , V. Boudon, M. Loe¨te, J. Mol.Spectrosc., 217, 239–248 (2003).2doi:10.1016/j.jms.2008.01.011, Ch. Wenger, V. Boudon, M. Rotger, M. Sanzharov, J.-P. Champion,J. Mol. Spectrosc., 251, 102–113 (2008).3doi:10.1016/j.jqsrt.2004.11.012, Ch. Wenger, W. Raballand, M. Rotger, , V. Boudon, J. Quant.Spectrosc. Radiat. Transf ., 251, 102–113 (2008).p-number: p174 Submitted on Mon Jul 6 14:41:58 CEST 2015HRMS, 24th Colloquium, Dijon, France, 24 - 28 Aug, 2015-6-4-20246 		1585.01584.51584.01583.51583.01582.51582.01581.5   	          p-number: p174 Submitted on Mon Jul 6 14:41:58 CEST 2015

High-resolution stimulated Raman spectroscopy and analysis of v2 and v3 bands of 13C2H4 using the D2h top data system

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