Albora, G.

Daumont, L.

Grouiez, B.

Nikitin, Andrei V.

Rey, Michaël

Régalia, L.

Thomas, Xavier

Tyuterev, Vladimir G.

English

Tomsk State University Repository

HRMS, 24th Colloquium, Dijon, France, 24 - 28 Aug, 2015FOURIER TRANSFORM 12CH3D SPECTRA IN THE REGION 3800 − 8000cm−1. DIRECT COMPARISON TO AB INITIO CALCULATION.L. DAUMONT, X. THOMAS , M. REY, B. GROUIEZ, G. ALBORA, L.REGALIA , V. TYUTEREV, Groupe de Spectrome´trie Mole´culaire etAtmosphe´rique, UMR CNRS 7331, UFR Sciences BP 1039, 51687 Reims Cedex 2,France; A. V. NIKITIN, Laboratory of Theoretical Spectroscopy, V.E. ZuevInstitute of Atmospheric Optics SB RAS, 1, Akademician Zuev square, 634021Tomsk, Russia, and Tomsk State University, Tomsk, RussiaThe spectra of 12CH3D isotopologue has been recorded in the all region 3800 -8000 cm−1 using the Step-by-Step Fourier Transform spectrometer of G.S.M.A. atReims university. The region was studied using four optical filters with maximumoptical path differences of 0.7 and 1 meter. The Fourier Transform Spectrometer wasfitted with a tungsten light source. The light power was limited at the entrance of thespectrometer using a 5 mm-diameter iris. The detection was performed using a pairof InSb detectors.1 The 12CH3D gaz has been purchased at EURISO-TOP with anisotopic purity of 98 %. It was used to fill our 2 meter base long White-type cell builtin the frame of a previous french ANR support for methane studies. Two absorptionpaths of 8 and 40 meters were used with the same amount of gaz corresponding to apressure of 1.7 torr.The spectra obtained show an important number of structures belonging to severalpolyads of 12CH3D and the determination of lines parameters will be made further.This poster presents the first comparison to the ab initio calculations of Rey et al.2The theoretical calculations of the involved teams already brought decisive informa-tion for the analysis of the main isotopologue3 spectra and will now serve the analysisof 12CH3D.This work is partly supported by French-Russian LIA SAMIA and Tomsk StateUniversity Mendeleev grant program.1 J. J. Plateaux, A. Barbe and A. Delahaigue: Reims high resolution Fourier transform spectrometer.Data reduction for ozone. Spec. Acta A, 51, 1153-1169 (1995), L. Re´galia, C. Oudot, X. Thomas, P.Von der Heyden, D. Decatoire: FTS improvements and connection with a long White cell. Application:H162 O intensity measurements around 1200 cm−1 J. Q. S. R. T., 111, 826-842 (2010).2 M. Rey, A. V. Nikitin and Vl. G. Tyuterev: Accurate first-principles calculations for 12CH3Dinfrared spectra from isotopic and symmetry transformations. J. C. P. 141, 044316 (2014).3Nikitin, A.V. , Thomas, X., Re´galia, L., Daumont, L., Rey, M., Tashkun, S.A. , Tyuterev, V. andBrown, L.R. , Measurements and modeling of long-path 12CH4 spectra in the 4800 − 5300 cm−1region. J. Q. S. R. T. 138,116-123 (2014).p-number: p257 Submitted on Wed Jun 17 11:53:03 CEST 2015

Fourier transform 12CH3D spectra in the region 3800 - 8000 cm-1. Direct comparison to ab initio calculation

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Fourier transform 12CH3D spectra in the region 3800 - 8000 cm-1. Direct comparison to ab initio calculation

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