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9 results on '"Kwabia-Tchana, Fridolin"'

5. Line positions and intensities for the ν2/ν4 bands of 5 isotopologues of germane near 11.5 µm

Author

Richard, Cyril, Boudon, Vincent, Rizopoulos, Atina, Vander Auwera, Jean, and Kwabia-Tchana, Fridolin

Subjects
Spectroscopie [électromagnétisme, optique, acoustique], Line positions, Chimie, Physique atomique et moléculaire, Tensorial formalism, Germane, High-resolution infrared spectroscopy, Line intensities
Abstract

Germane is a tetrahedral molecule found in trace abundance in giant gas planets like Jupiter and Saturn. We have recently provided a database of calculated lines of the stretching fundamental bands in the 2100 cm−1 region that is of high interest for planetology (https://vamdc.icb.cnrs.fr/PHP/GeH4.php). It is now necessary to study many rovibrational levels, including the lowest ones, in order to access the hot bands and thus to improve the model of the spectral region of interest for Jupiter, especially in the framework of the ongoing Juno mission. We present here a complete analysis and modeling of line positions and intensities in the ν2/ν4 bending dyad region near 900 cm−1 for all five germane isotopologues in natural abundance. Thanks to the high symmetry of the molecule, we use the tensorial formalism and group theory methods developed in the Dijon group, that allows us to provide a set of effective Hamiltonian and dipole parameters. The present study also leads to a refined value of the Ge–H equilibrium bond length of 1.51714(25) Å. Finally, new calculated germane lines were derived and injected in the GeCaSDa database., SCOPUS: re.j, info:eu-repo/semantics/published

Published
2021

6. New vibrational assignments for the nu1 to nu17 vibrational modes of aziridine and first analysis of the high resolution infrared spectrum of aziridine between 720 cm-1 and 1050 cm-1

Author

Ngom, Malick, Kwabia-Tchana, Fridolin, Perrin, Agnes, Guillemin, Jean-Claude, FLAUD, Jean Marie, Demaison, Jean, Ngom, Abib, Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12), Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA (UMR_7583)), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Chimiques de Rennes (ISCR), Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Rennes-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Université Cheikh Anta Diop [Dakar, Sénégal] (UCAD), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Physical Sciences, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]
Abstract

International audience; Fourier transform spectra of aziridine (C2H4NH) were recorded at high resolution (0.002 or 0.003 cm-1) in the 600-1750 and 1750-4000 cm-1 regions, using a Bruker IFS125HR spectrometer, located at the LISA facility in Creteil. In parallel, the harmonic force field of aziridine was evaluated analytically at the optimized geometry with second-order Møller-Plesset perturbation theory (MP2) together with the correlation-consistent polarized valence triple zeta basis sets cc-pVTZ. These ab initio predictions were used to perform consistent vibrational assignments for the nu1 to nu17 fundamental bands of aziridine observed in the infrared spectra recorded during this study. Finally, a first detailed rotational assignment was performed for two B-type bands located at 772.3571 cm-1 (nu10, CH2 rock) and 997.1592 cm-1 (nu8, NH bend) and for an A-type band located at 904.0429 cm-1 nu17 , ring deform). We noticed that the nu10 band is weakly perturbed, presumably because the v10 = 1 rotational levels are coupled with those of the v18 = 1 dark band located around 817 cm-1 through B-type and C-type Coriolis resonances.

Published
2011
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7. Performance of the AILES THz-Infrared Beamline on SOLEIL for High Resolution Spectroscopy

Author

Roy, Pascale, Brubach, Jean-Blaise, Rouzieres, Mathieu, Pirali, Olivier, Manceron, Laurent, Balcon, Didier, Kwabia-Tchana, Fridolin, Cuisset, Arnaud, Boudon, Vincent, Boudon, Vincent, Blanc - In-depth study of the methane absorption in Titan's atmosphere from calculations and experiments - - CH4@Titan2008 - ANR-08-BLAN-0254 - BLANC - VALID, Ligne AILES, Synchrotron SOLEIL, Laboratoire de Dynamique Interactions et Réactivité (LADIR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA (UMR_7583)), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Photophysique Moléculaire (PPM), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), ANR-08-BLAN-2-321467,ANR-08-BLAN,CH4@Titan(2008), Laboratoire de Dynamique Interactions et Réactivité ( LADIR ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire inter-universitaire des systèmes atmosphèriques ( LISA ), Institut national des sciences de l'Univers ( INSU - CNRS ) -Université Paris Diderot - Paris 7 ( UPD7 ) -Université Paris-Est Créteil Val-de-Marne - Paris 12 ( UPEC UP12 ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Photophysique Moléculaire ( PPM ), Université Paris-Sud - Paris 11 ( UP11 ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Interdisciplinaire Carnot de Bourgogne ( LICB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), ANR-08-BLAN-2-321467,ANR-08-BLAN,CH4@Titan ( 2008 ), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11), ANR-08-BLAN-0254,CH4@Titan,In-depth study of the methane absorption in Titan's atmosphere from calculations and experiments(2008), and Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry
Published
2009

8. A complete set of line parameters for CH3Br in the 10-microns spectral region

Author

Jacquemart, David, Kwabia Tchana, Fridolin, Lacome, Nelly, Kleiner, Isabelle, Laboratoire de Dynamique Interactions et Réactivité (LADIR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA (UMR_7583)), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Vibration-rotation, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Methyl bromide, Line list, Broadening coefficients, science direct, Fourier transform spectroscopy, Infrared, Line intensities
Abstract

International audience; Using FT spectra (Bruker IFS 120, unapodized FWHM resolution ̴ 0.001 cmˉ¹) of methyl bromide CH3Br, absolute line positions and intensities, as well as self- and N2-broadening coefficients have been measured for about 1200 lines, between 880 and 1050 cmˉ¹, in the band of both 12CH379Br and 12CH381Br isotopologues. An absolute wavenumber calibration has been performed using the frequencies of the band of NH3. A multispectrum fitting procedure has been used to retrieve simultaneously the line parameters from 6 experimental spectra recorded at different pressures of CH3Br and N2. Average absolute accuracies of the measurements have been estimated to be equal to +/- 0.0002 cmˉ¹ for line positions, to +/- 5% for line intensities, and to +/- 5-10% for broadening coefficients. A theoretical treatment of measured line positions permitted a prediction of positions and assignments for the whole 10-µm spectral region. Measured line intensities have been analyzed in order to predict the intensities for the whole band. The J and K dependences of the self- and N2-broadening coefficients have been observed and modeled. These measurements improve the precision of wavenumbers and line intensities previously obtained and lead us, for the first time, to a complete set of self- and N2-broadening coefficients for which clear J- and K-dependences have been observed and modeled. A complete line list containing line positions, intensities, self- and N2-broadening coefficients has then been generated for atmospheric purposes from 820 to 1120 cmˉ¹.

Published
2007
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9. A new, low temperature long-pass cell for mid-infrared to terahertz spectroscopy and synchrotron radiation use.

Author

Kwabia Tchana, Fridolin, Willaert, Fabrice, Landsheere, Xavier, Flaud, Jean-Marie, Lago, Leatitia, Chapuis, Mylène, Herbeaux, Christian, Roy, Pascale, and Manceron, Laurent

Subjects
*LOW temperature research, *TEMPERATURE, *INFRARED spectroscopy, *OPTICAL spectroscopy, *SYNCHROTRON radiation
Abstract

A new cell has been designed for accurate spectroscopic measurements in the 80-400 K temperature range with variable path lengths from 3 to more than 141 m. The spectral coverage at these temperatures ranges from the visible to less than 10 cm-1, thanks to the use of diamond windows. The design of the cryostat and vacuum setups allows vibration-free operation. The equipment provides temperature homogeneity and pressure control to better than 2% over the 100-400 K and the 0.1-1000 mbar ranges. Remote-controlled opto-mechanical systems enable in situ adjustments as well as changes of the optical path length within half an hour, in order to optimize measurement time in an open user facility. It allows then to meet the specific requirements of high resolution measurements on the Far-Infrared AILES beamline at SOLEIL as well at the LISA facility, in Créteil, in the mid-IR. This new instrument opens up the way for many experiments in the field of high-resolution gas-phase IR spectroscopy, in particular, in quantitative spectroscopy for atmospheric applications: measurements of absorption line parameters (absolute intensities, cross sections, and pressure-induced widths) using Fourier transform spectroscopy. The design and performance of the equipment are briefly presented and illustrated on spectroscopic examples. [ABSTRACT FROM AUTHOR]

Published
2013
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