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172 results on '"Olivier Pirali"'

1. Frequency stable and low phase noise THz synthesis for precision spectroscopy

Author

Léo Djevahirdjian, Loïc Lechevallier, Marie-Aline Martin-Drumel, Olivier Pirali, Guillaume Ducournau, Rédha Kassi, and Samir Kassi

Subjects
Science
Abstract

Abstract We present a robust approach to generate a continuously tunable, low phase noise, Hz linewidth and mHz/s stability THz emission in the 0.1 THz to 1.4 THz range. This is achieved by photomixing two commercial telecom, distributed feedback lasers locked by optical-feedback onto a single highly stable V-shaped optical cavity. The phase noise is evaluated up to 1.2 THz, demonstrating Hz-level linewidth. To illustrate the spectral performances and agility of the source, low pressure absorption lines of methanol and water vapors have been recorded up to 1.4 THz. In addition, the hyperfine structure of a water line at 556.9 GHz, obtained by saturation spectroscopy, is also reported, resolving spectral features displaying a full-width at half-maximum of 10 kHz. The present results unambiguously establish the performances of this source for ultra-high resolution molecular physics.

Published
2023
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2. Rovibrational Spectroscopy of Trans and Cis Conformers of 2-Furfural from High-Resolution Fourier Transform and QCL Infrared Measurements

Author

Sathapana Chawananon, Pierre Asselin, Jordan A. Claus, Manuel Goubet, Anthony Roucou, Robert Georges, Joanna Sobczuk, Colwyn Bracquart, Olivier Pirali, and Arnaud Cuisset

Subjects
furfural, rovibrational spectroscopy, vibrational cross section, jet-cooling, QCL source, synchrotron-based FTIR spectroscopy, Organic chemistry, QD241-441
Abstract

The ortho-isomer 2-furfural (2-FF), which is a primary atmospheric pollutant produced from biomass combustion, is also involved in oxidation processes leading to the formation of secondary organic aerosols. Its contribution to radiative forcing remains poorly understood. Thus, monitoring 2-FF directly in the atmosphere or in atmospheric simulation chambers to characterize its reactivity is merited. The present study reports an extensive jet-cooled rovibrational study of trans and cis conformers of 2-FF in the mid-IR region using two complementary setups: a continuous supersonic jet coupled to a high-resolution Fourier transform spectrometer on the IR beamline of the SOLEIL synchrotron (JET-AILES), and a pulsed jet coupled to a mid-IR tunable quantum cascade laser spectrometer (SPIRALES). Firstly, jet-cooled spectra recorded at rotational temperatures ranging between 20 and 50 K were exploited to derive reliable excited-state molecular parameters of trans- and cis-2-FF vibrational bands in the fingerprint region. The parameters were obtained from global fits of 11,376 and 3355 lines distributed over eight and three vibrational states (including the ground state), respectively, with a root mean square of 12 MHz. In a second step, the middle resolution spectrum of 2-FF recorded at 298.15 K and available in the HITRAN database was reconstructed by extrapolating the data derived from our low-temperature high-resolution analyses to determine the cross sections of each vibrational band of both 2-FF conformers in the 700–1800 cm−1 region. Finally, we clearly demonstrated that the contribution of hot bands observed in the room temperature 2-FF spectrum, estimated between 40 and 63% of the fundamental band, must be imperatively introduced in our simulation to correctly reproduce the HITRAN vibrational cross sections of 2-FF with a deviation smaller than 10%.

Published
2023
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3. Optically Pumped Terahertz Molecular Laser: Gain Factor and Validation up to 5.5 THz

Author

Marie-Hélène Mammez, Zachary Buchanan, Olivier Pirali, Marie-Aline Martin-Drumel, Joan Turut, Guillaume Ducournau, Sophie Eliet, Francis Hindle, Stefano Barbieri, Pascale Roy, Gaël Mouret, and Jean-François Lampin

Subjects
ammonia, mid-infrared quantum cascade laser pump, optical gain factor, THz molecular laser, Applied optics. Photonics, TA1501-1820, Optics. Light, QC350-467
Abstract

Quantum cascade laser‐pumped terahertz (THz) gas lasers are at the edge of revolutionizing THz science where powerful yet tunable sources have long been lacking. Maybe one of the last remaining drawbacks to a wider use of these instruments lies in the lack of available databases of potentially lasing transitions for users. A new figure of merit, the molecular gain factor is proposed, that allows to discriminate transitions by their lasing potential. Using this factor, catalogs of THz laser lines of ammonia, both 14NH3 and 15NH3, up to 10 THz are reported. Demonstration of the use of these two catalogs, and of the pertinence of the molecular gain factor, is made by experimentally observing 32 laser lines of 14NH3 and 5 lines of 15NH3 up to 5.5 THz. Prospects to generalize the use of this molecular gain factor to a wide range of molecules are discussed.

Published
2022
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13. The bending of C3: Experimentally probing the l-type doubling and resonance

Author

Marie-Aline Martin-Drumel, Qiang Zhang, Kirstin D. Doney, Olivier Pirali, Michel Vervloet, Dennis Tokaryk, Colin Western, Harold Linnartz, Yang Chen, and Dongfeng Zhao

Subjects
Astrophysics of Galaxies (astro-ph.GA), FOS: Physical sciences, Physical and Theoretical Chemistry, Astrophysics - Astrophysics of Galaxies, Spectroscopy, Atomic and Molecular Physics, and Optics
Abstract

C$_3$, a pure carbon chain molecule that has been identified in different astronomical environments, is considered a good probe of kinetic temperatures through observation of transitions involving its low-lying bending mode ($\nu_2$) in its ground electronic state. The present laboratory work aims to investigate this bending mode with multiple quanta of excitation by combining recordings of high resolution optical and infrared spectra of C$_3$ produced in discharge experiments. The optical spectra of rovibronic (A $^1\Pi_u -$ X $^1\Sigma_g^+$) transitions have been recorded by laser induced fluorescence spectroscopy using a single longitude mode optical parametric oscillator as narrow bandwidth laser source at the University of Science and Technology of China. 36 bands originating from X(0$v_2$0), $v_2 = 0-5$, are assigned. The mid-infrared spectrum of the rovibrational $\nu_3$ band has been recorded by Fourier-transform infrared spectroscopy using a globar source on the AILES beamline of the SOLEIL synchrotron facility. The spectrum reveals hot bands involving up to 5 quanta of excitation in $\nu_2$. From combining analyses of all the presently recorded spectra and literature data, accurate rotational parameters and absolute energy levels of C$_3$, in particular for states involving the bending mode, are determined. A single PGOPHER file containing all available data involving the X and A states (literature and present study) is used to fit all the data. The spectroscopic information derived from this work enables new interstellar searches for C$_3$, not only in the infrared and optical regions investigated here but also notably in the $\nu_2$ band region (around 63 cm$^{-1}$) where vibrational satellites can now be accurately predicted. This makes C$_3$ a universal diagnostic tool to study very different astronomical environments, from dark and dense to translucent clouds., Comment: 15 pages, 9 figures, 4 tables

Published
2023

14. New laser lines from a terahertz ammonia laser pumped by a quantum cascadelaser and their application to high-resolution spectroscopy

Author

Z. Buchanan, Guillaume Ducournau, S. Eliet, S. Barbieri, Gaël Mouret, Marie-Aline Martin-Drumel, Francis Hindle, D. Mammez, J-F. Lampin, Olivier Pirali, T. S. Hearne, Pascal Roy, Marie-Hélène Mammez, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), Photonique THz - IEMN (PHOTONIQUE THZ - IEMN), Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physico-Chimie de l'Atmosphère (LPCA), Université du Littoral Côte d'Opale (ULCO), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), University of California [Davis] (UC Davis), University of California (UC), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Plateforme de Caractérisation Multi-Physiques - IEMN (PCMP - IEMN), Ligne AILES, Synchrotron SOLEIL, no information, PCMP CHOP, Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), University of California, and Université du Littoral Côte d'Opale (ULCO)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Heterodyne, Materials science, Spectrometer, quantum cascade lasers, Terahertz radiation, business.industry, submillimetre wave lasers, Local oscillator, Physics::Optics, Laser, ammonia, law.invention, [SPI]Engineering Sciences [physics], law, Optoelectronics, Figure of merit, Physics::Atomic Physics, Quantum cascade laser, business, Spectroscopy, Astrophysics::Galaxy Astrophysics, optical pumping
Abstract

oral; International audience; We present an experimental investigation into new continuous-wave laser lines from a terahertz ammonia laser pumped by a quantum cascade laser. These lines were investigated with the help of a molecular figure of merit calculated from spectroscopic parameters available in molecular databases. We also demonstrate the use of this laser as a local oscillator in a heterodyne high-resolution spectrometer between 1 and 3.4 THz.

Published
2021

16. OPTICALLY-PUMPED AMMONIA TERAHERTZ LASER UP TO 5.5 THz

Author

Sophie Eliet, Jean-François Lampin, Francis Hindle, Gaël Mouret, Pascal Roy, Marie-Hélène Mammez, Olivier Pirali, Stefano Barbieri, and Marie-Aline Martin-Drumel

Subjects
Ammonia, chemistry.chemical_compound, Materials science, chemistry, Terahertz radiation, business.industry, Far-infrared laser, Optoelectronics, business
Published
2021

22. THE HEROES OF TERAHERTZ SYNCHROTRON SPECTROSCOPY

Author

Pascal Roy, Dominique Mammez, Francis Hindle, Olivier Pirali, Jean-François Lampin, Marie-Aline Martin-Drumel, Gaël Mouret, Thomas Hearne, and Marie-Hélène Mammez

Subjects
Materials science, law, business.industry, Terahertz radiation, Optoelectronics, business, Spectroscopy, Synchrotron, law.invention
Published
2021

23. AN HETERODYNE SPECTROMETER FOR TERAHERTZ SPECTROSCOPY

Author

Dominique Mammez, Marie-Aline Martin-Drumel, Jean-François Lampin, Francis Hindle, Thomas Hearne, Sophie Eliet, Gaël Mouret, Olivier Pirali, and Marie-Hélène Mammez

Subjects
Heterodyne, Materials science, Optics, Spectrometer, business.industry, business, Terahertz spectroscopy and technology
Published
2021

24. Far-infrared self-continuum absorption of H216O and H218O (15–500 cm−1)

Author

Alain Campargue, M.Yu. Tretyakov, T.A. Odintsova, A.O. Zibarova, Olivier Pirali, Pascal Roy, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), LAsers, Molécules et Environnement (LAME-LIPhy), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy), and Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])

Subjects
Physics, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Water dimer, Radiation, 010504 meteorology & atmospheric sciences, Continuum (design consultancy), 01 natural sciences, Atomic and Molecular Physics, and Optics, Spectral line, Far infrared, Isotopologue, Atomic physics, Absorption (electromagnetic radiation), ComputingMilieux_MISCELLANEOUS, Spectroscopy, Water vapor, 0105 earth and related environmental sciences, Line (formation)
Abstract

The water vapor continuum absorption is studied in a spectral range covering most of the pure rotational spectrum of water molecule up to 500 cm−1. The continuum absorption was derived from the broadband water vapor spectra recorded by Fourier transform spectrometer equipped with the 151-m multipass gas cell at the AILES beam line of the SOLEIL synchrotron. The coherent (10–35 cm−1) and standard (40–500 cm−1) radiation modes of the synchrotron were used. In order to refine the magnitude and clarify the physical origin of the continuum, spectra of the two major water isotopologues, H216O and H218O, were considered. Recordings at several water vapor pressures were used to check the expected quadratic pressure dependence of the continuum. The new data extend and supplement previous measurements filling, in particular, the gap between 200 and 350 cm−1, which was never studied before. The H216O and H218O absorption continua in the range of 50–650 cm−1 show similar frequency dependence and magnitude. In particular, both continua exhibit a clear water dimer spectral signature near 15 cm−1, in good agreement with previous ab initio calculations. The present data confirm that the MT-CKD empirical continuum model widely used in atmospheric applications, overestimates importantly the continuum magnitude in the whole range of the rotational band. The observed irregular frequency dependence of the retrieved self-continuum cross-section values is tentatively interpreted as due to uncertainties on the resonance lines of the water monomer spectrum which is subtracted from the recorded spectra. On the basis of spectra simulations, the inadequate description of the line shapes in the range of the intermediate wings (detuning of 5–10 cm−1 from line center) and the uncertainties on the self-broadening coefficients of water monomer lines are identified as possible mechanisms responsible of the observed irregular fluctuations.

Published
2019

25. Tunneling motion and splitting in the CH2OH radical: (Sub-)millimeter wave spectrum analysis

Author

Jean-Thibaut Spaniol, Laurent Coudert, Marie-Aline Martin-Drumel, Olivia Chitarra, Jean-Christophe Loison, and Olivier Pirali

Subjects
General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract

The (sub-)millimeter wave spectrum of the non-rigid CH2OH radical is investigated both experimentally and theoretically. Ab initio calculations are carried out to quantitatively characterize its potential energy surface as a function of the two large amplitude ∠H1COH and ∠H2COH dihedral angles. It is shown that the radical displays a large amplitude torsional-like motion of its CH2 group with respect to the OH group. The rotation–torsion levels computed with the help of a 4D Hamiltonian accounting for this torsional-like motion and for the overall rotation exhibit a tunneling splitting, in agreement with recent experimental investigations, and a strong rotational dependence of this tunneling splitting on the rotational quantum number K a due to the rotation–torsion Coriolis coupling. Based on an internal axis method approach, a fitting Hamiltonian accounting for tunneling effects and for the fine and hyperfine structure is built and applied to the fitting of the new (sub)-millimeter wave transitions measured in this work along with previously available high-resolution data. 778 frequencies and wavenumbers are reproduced with a unitless standard deviation of 0.79 using 27 parameters. The N = 0 tunneling splitting, which could not be determined unambiguously in the previous high-resolution investigations, is determined based on its rotational dependence.

Published
2022

27. Rotational and vibrational spectroscopy of 1-cyanoadamantane and 1-isocyanoadamantane

Author

Olivier Pirali, Olivia Chitarra, Marie-Aline Martin-Drumel, Zachary Buchanan, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), University of California [Davis] (UC Davis), and University of California

Subjects
Materials science, 010304 chemical physics, Absorption spectroscopy, Infrared, Infrared spectroscopy, Rotational and vibrational spectroscopy, 010402 general chemistry, 01 natural sciences, 7. Clean energy, Molecular physics, Atomic and Molecular Physics, and Optics, Spectral line, 0104 chemical sciences, Interstellar medium, Cyano-adamantanes, Nanocrystal, 13. Climate action, Excited state, 0103 physical sciences, Molecule, Astrophysical relevance, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Spectroscopy
Abstract

Because of their high stability, the presence of diamond-type molecules has long been suspected in the interstellar medium, a hypothesis supported by the extraction of diamond nanocrystal from some meteorites. We report the rotational and vibrational investigation of two polar derivatives of adamantane (C10H16), 1-cyanoadamantane (C10H15–CN) and 1-isocyanoadamantane (C10H15–NC), using room temperature gas phase absorption spectroscopy. Pure rotational spectra have been recorded at millimeter wavelengths (75–220 GHz) while vibrational spectra were obtained in the far- and mid-infrared domains (50–3500 cm−1). Quantum chemical calculations have been performed on these two C 3 v rotors to support the spectral analysis enabling the assignment, for both species, of more than 7000 pure rotational transitions in the ground (A1 symmetry) and first vibrationally excited (E symmetry) states, and of most of the infrared active bands. The pure rotational lines were fit to their experimental accuracy using a symmetric-top Hamiltonian. Our study provides all necessary information for an active search of these species in space.

Published
2021

28. The foreign-continuum absorption of water vapour in the far-infrared (50–500 cm−1)

Author

Aleksandra O. Koroleva, Olivier Pirali, Alain Campargue, T.A. Odintsova, Mikhail Yu. Tretyakov, LAsers, Molécules et Environnement (LAME-LIPhy ), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy ), and Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)

Subjects
[PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Radiation, Materials science, Terahertz gap, 010504 meteorology & atmospheric sciences, Continuum (design consultancy), Analytical chemistry, chemistry.chemical_element, 01 natural sciences, Nitrogen, Atomic and Molecular Physics, and Optics, Spectral line, Synchrotron, law.invention, Beamline, chemistry, Far infrared, law, Spectroscopy, Water vapor, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences
Abstract

We investigated the continuum absorption of water vapour diluted in nitrogen, oxygen and air in the range of the pure rotational band of the water molecule (50-500 cm−1). Spectra recordings were performed at room temperature with a Fourier transform spectrometer associated to a 151-m multipass gas cell located at the AILES beamline of SOLEIL synchrotron facility. The study includes the first laboratory measurements in the wide 90-330 cm−1 interval. Tests of the baseline stability, crucial for the continuum determination, are reported together with the expected pressure dependences of the continuum absorption, measured over different pressure ramps. Retrieved foreign-continuum cross-sections are found in good agreement with literature values available in the lower and upper parts of the studied frequency range. The reported results validate the MT_CKD foreign-continuum empirical model, widely used in atmospheric applications, even if some overestimation of the MT_CKD values is noted in the centre of the band where experimental data were absent.

Published
2021

29. A rotational and vibrational investigation of phenylpropiolonitrile (C$_6$H$_5$C$_3$N)

Author

Michael C. McCarthy, Kin Long Kelvin Lee, Olivia Chitarra, Marie-Aline Martin-Drumel, Olivier Pirali, Zachary Buchanan, University of California [Davis] (UC Davis), University of California, Massachusetts Institute of Technology (MIT), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Harvard-Smithsonian Center for Astrophysics (CfA), Smithsonian Institution-Harvard University [Cambridge], Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), and ANR-19-CE30-0017,LISTed,Etude en laboratoire d'espèces réactives par taxonomie spectrale(2019)

Subjects
pure rotation, FOS: Physical sciences, 010402 general chemistry, 7. Clean energy, 01 natural sciences, phenylpropiolonitrile, symbols.namesake, Physics - Chemical Physics, 0103 physical sciences, Physical and Theoretical Chemistry, Hyperfine structure, Astrophysics::Galaxy Astrophysics, Spectroscopy, Physics, Chemical Physics (physics.chem-ph), 010304 chemical physics, Spectrometer, PAH derivative, Astrophysics - Astrophysics of Galaxies, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Wavelength, Interferometry, Fourier transform, Astrophysics of Galaxies (astro-ph.GA), Quadrupole, symbols, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], vibration, Atomic physics, Ground state, astrophysical species, Microwave
Abstract

The evidence for benzonitrile (C$_6$H$_5$CN}) in the starless cloud core TMC-1 makes high-resolution studies of other aromatic nitriles and their ring-chain derivatives especially timely. One such species is phenylpropiolonitrile (3-phenyl-2-propynenitrile, C$_6$H$_5$C$_3$N), whose spectroscopic characterization is reported here for the first time. The low resolution (0.5 cm$^{-1}$) vibrational spectrum of C$_6$H$_5$C$_3$N} has been recorded at far- and mid-infrared wavelengths (50 - 3500 cm$^{-1}$) using a Fourier Transform interferometer, allowing for the assignment of band centers of 14 fundamental vibrational bands. The pure rotational spectrum of the species has been investigated using a chirped-pulse Fourier transform microwave (FTMW) spectrometer (6 - 18 GHz), a cavity enhanced FTMW instrument (6 - 20 GHz), and a millimeter-wave one (75 - 100 GHz, 140 - 214 GHz). Through the assignment of more than 6200 lines, accurate ground state spectroscopic constants (rotational, centrifugal distortion up to octics, and nuclear quadrupole hyperfine constants) have been derived from our measurements, with a plausible prediction of the weaker bands through calculations. Interstellar searches for this highly polar species can now be undertaken with confidence since the astronomically most interesting radio lines have either been measured or can be calculated to very high accuracy below 300 GHz., Comment: 7 figures, 4 tables. Accepted for publication in J. Mol. Spec

Published
2021
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30. Reinvestigation of the rotation-tunneling spectrum of the CH2OH radical: Accurate frequency determination of transitions of astrophysical interest up to 330 GHz

Author

Jean-Christophe Loison, Valerio Lattanzi, Olivia Chitarra, S. Spezzano, Bérenger Gans, Marie-Aline Martin-Drumel, Holger S. P. Müller, Olivier Pirali, Max-Planck-Institut für Sonnensystemforschung (MPS), Max-Planck-Gesellschaft, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Max Planck Institute for Extraterrestrial Physics (MPE), and University of Applied Sciences and Arts of Western Switzerland (HES-SO)

Subjects
methods: laboratory: molecular, Context (language use), Astrophysics, 01 natural sciences, Molecular physics, Chemical reaction, chemistry.chemical_compound, 0103 physical sciences, Hydroxymethyl, 010303 astronomy & astrophysics, Quantum tunnelling, Astrophysics::Galaxy Astrophysics, Physics, 010304 chemical physics, Spectrometer, Astronomy and Astrophysics, submillimeter: general, Hydrogen atom, Quantum number, ISM: molecules, Interstellar medium, chemistry, 13. Climate action, Space and Planetary Science, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], techniques: spectroscopic, catalogs
Abstract

Context. The hydroxymethyl radical (CH2OH) is one of two structural isomers, together with the methoxy radical (CH3O), that can be produced by abstraction of a hydrogen atom from methanol (CH3OH). In the interstellar medium (ISM), both CH2OH and CH3O are suspected to be intermediate species in many chemical reactions, including those of formation and destruction of methanol. The determination of the CH3O/CH2OH ratio in the ISM would bring important information concerning the formation processes of these species in the gas and solid phases. Interestingly, only CH3O has been detected in the ISM so far, despite the recent first laboratory measurement of the CH2OH rotation-tunneling spectrum. This lack of detection is possibly due to the non-observation in the laboratory of the most intense rotation-tunneling transitions at low temperatures. Aims. To support further searches for the hydroxymethyl radical in space, we present a thorough spectroscopic study of its rotation-tunneling spectrum, with a particular focus on transitions involving the lowest quantum numbers of the species. Methods. We recorded the rotation-tunneling spectrum of CH2OH at room temperature in the millimeter-wave domain using a frequency multiplication chain spectrometer. A fluorine-induced H-abstraction method from methanol was used to produce the radical. Results. About 180 transitions were observed, including those involving the lowest N and Ka quantum numbers, which are predicted to be intense under cold astrophysical conditions. These transitions were fitted together with available millimeter-wave lines from the literature. A systematic observation of all components of the rotational transitions yields a large improvement of the spectroscopic parameters allowing confident searches of the hydroxymethyl radical in cold to warm environments of the ISM.

Published
2020

31. Synchrotron-based far-infrared spectroscopy of HC3N: Extended ro-vibrational analysis and new line list up to 3360 cm−1

Author

Filippo Tamassia, Luca Bizzocchi, Mattia Melosso, Marie-Aline Martin-Drumel, Olivier Pirali, Andrea Pietropolli Charmet, Elisabetta Canè, Luca Dore, Iouli E. Gordon, Jean-Claude Guillemin, Barbara M. Giuliano, Paola Caselli, Silvia Alessandrini, Vincenzo Barone, and Cristina Puzzarini

Subjects
Radiation, Spectroscopy, Atomic and Molecular Physics, and Optics
Published
2022

32. Continuous-wave lines up to 5.5 THz from the ammonia laser pumped by a quantum cascade laser

Author

J-F. Lampin, Olivier Pirali, S. Barbieri, Marie-Aline Martin-Drumel, Martin Mičica, Gaël Mouret, S. Eliet, Francis Hindle, Zachary Buchanan, Marie-Hélène Mammez, Pascal Roy, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), Photonique THz - IEMN (PHOTONIQ THz - IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), University of California [Davis] (UC Davis), University of California, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physico-Chimie de l'Atmosphère (LPCA), Université du Littoral Côte d'Opale (ULCO), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), PCMP CHOP, Photonique THz - IEMN (PHOTONIQUE THz - IEMN), University of California (UC), and ANR-16-CE30-0020,HEROES,Conception de détecteurs heterodyne optimisés pour les sources synchrotron(2016)

Subjects
Materials science, business.industry, Terahertz radiation, External cavity, Physics::Optics, Laser, 7. Clean energy, 3. Good health, law.invention, [SPI]Engineering Sciences [physics], law, Optoelectronics, Continuous wave, Physics::Atomic Physics, Stimulated emission, business, Quantum cascade laser
Abstract

International audience; We have recently demonstrated a continuous wave molecular laser emission based on ammonia optically pumped by a quantum cascade laser. We report here new results obtained with an optimized laser prototype pumped by a tunable external cavity quantum cascade laser. New laser lines with high output power are demonstrated at frequencies between 1 and 5.5 THz.

Published
2020

33. The far-infrared spectrum of 18O enriched water vapour (40–700 cm−1)

Author

M.Yu. Tretyakov, Alain Campargue, T.A. Odintsova, S. Béguier, Olivier Pirali, Semen Mikhailenko, V.E. Zuev Institute of Atmospheric Optics (IAO), and Siberian Branch of the Russian Academy of Sciences (SB RAS)

Subjects
Physics, [PHYS]Physics [physics], Radiation, 010504 meteorology & atmospheric sciences, Absorption spectroscopy, Analytical chemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, Fourier transform spectroscopy, Far infrared, Isotopologue, HITRAN, Absorption (electromagnetic radiation), Spectroscopy, Water vapor, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Line (formation)
Abstract

The rotational spectrum of water vapour highly enriched in 18O has been studied by high resolution (≈ 0.001 cm−1) Fourier transform spectroscopy at the AILES beam line of the SOLEIL synchrotron. The room temperature absorption spectrum has been recorded between 40 and 700 cm−1. The 18O enrichment of the sample was about 97% while the gas pressure and the absorption pathlength were set to 0.97 mbar and 151.75 m, respectively. The spectrum contains more than 4800 rotational transitions from seven water isotopologues (H218O, H216O, H217O, HD18O, HD16O, HD17O, D218O). The assignments were performed using known experimental energy levels as well as calculated line lists based on the results of Schwenke and Partridge. The amount and accuracy of the reported line positions represent an important extension compared to previous works. Overall, lines of about 2570 transitions are observed for the first time and 35, 41, 50, and 16 new energy levels are determined for H218O, H217O, HD18O, and HD17O, respectively. The set of derived energy levels shows a number of important differences from those recommended by an IUPAC-task group. Compared to the HITRAN2016 database, numerous deviations of line positions (up to 0.15 cm−1) are found for the H217O, H218O, HD17O, and HD18O species. Incomplete and wrong HITRAN's assignments of more than 90 transitions for H218O, H217O and HD18O are identified. Overall, the measured line positions will allow to significantly refine and complete the sets of empirical energy levels of H218O, H217O, HD18O and HD17O in the ground vibrational state.

Published
2020

34. Extensive ro-vibrational analysis of deuterated-cyanoacetylene (DC$_3$N) from millimeter-wavelengths to the infrared domain

Author

Jean-Claude Guillemin, L. Colzi, D. Prudenzano, Olivier Pirali, Filippo Tamassia, Luca Bizzocchi, Andrea Pietropolli Charmet, Aleksandra Adamczyk, Barbara M. Giuliano, Marie-Aline Martin-Drumel, Elisabetta Canè, Paola Caselli, Luca Dore, Mattia Melosso, Victor M. Rivilla, Alma Mater Studiorum Università di Bologna [Bologna] (UNIBO), Max-Planck-Institut für Extraterrestrische Physik (MPE), INAF - Osservatorio Astrofisico di Arcetri (OAA), Istituto Nazionale di Astrofisica (INAF), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), 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), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), University of Ca’ Foscari [Venice, Italy], H2020 Marie Skłodowska-Curie Actions, MSCA 664931Chinese American Ophthalmological Society, CAOS 2015F59J3RCentre National d'Etudes Spatiales, CNESCUP C52I13000140001Horizon 2020 Framework Programme, H2020Max-Planck-Gesellschaft, MPGMinistero dellâIstruzione, dellâUniversità e della Ricerca, MIUR, H2020 Marie Skłodowska-Curie Actions, MSCA 664931Chinese American Ophthalmological Society, CAOS 2015F59J3RCentre National d'Etudes Spatiales, CNESCUP C52I13000140001Horizon 2020 Framework Programme, H2020Max-Planck-Gesellschaft, MPGMinistero dell-Istruzione, Università e Ricerca, MIUR, 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), H2020 Marie Skłodowska-Curie Actions, MSCA 664931Chinese American Ophthalmological Society, CAOS 2015F59J3RCentre National d'Etudes Spatiales, CNESCUP C52I13000140001Horizon 2020 Framework Programme, H2020Max-Planck-Gesellschaft, MPGMinistero dell’Istruzione, dell’Università e della Ricerca, MIUR, Melosso M., Bizzocchi L., Adamczyk A., Cane' E., Caselli P., Colzi L., Dore L., Giuliano B.M., Guillemin J.-C., Martin-Drumel M.-A., Pirali O., Pietropolli Charmet A., Prudenzano D., Rivilla V.M., and Tamassia F.

Subjects
010504 meteorology & atmospheric sciences, Infrared, Overtone, FOS: Physical sciences, Anharmonic resonances, Interstellar species, Spectral analysis, 01 natural sciences, Molecular physics, Spectral line, chemistry.chemical_compound, [CHIM]Chemical Sciences, Cyanoacetylene, Isotopologue, Spectroscopy, Astrophysics::Galaxy Astrophysics, Settore CHIM/02 - Chimica Fisica, 0105 earth and related environmental sciences, Ro-vibrational spectroscopy, Physics, Radiation, Cyanopolyyne, Line catalog, Interstellar specie, Astrophysics - Astrophysics of Galaxies, Atomic and Molecular Physics, and Optics, Anharmonic resonance, Deuterium, chemistry, Astrophysics of Galaxies (astro-ph.GA), Millimeter
Abstract

Cyanoacetylene, the simplest cyanopolyyne, is an abundant interstellar molecule commonly observed in a vast variety of astronomical sources. Despite its importance as a potential tracer of the evolution of star-forming processes, the deuterated form of cyanoacetylene is less observed and less studied in the laboratory than the main isotopologue. Here, we report the most extensive spectroscopic characterization of DC$_3$N to date, from the millimeter domain to the infrared region. Rotational and ro-vibrational spectra have been recorded using millimeter-wave frequency-modulation and Fourier-transform infrared spectrometers, respectively. All the vibrational states with energy up to 1015 cm$^{-1}$ have been analyzed in a combined fit, where the effects due to anharmonic resonances have been adequately accounted for. The analysis contains over 6500 distinct transition frequencies, from which all the vibrational energies have been determined with good precision for many fundamental, overtone, and combination states. This work provides a comprehensive line catalog for astronomical observations of DC$_3$N, 14 pages, 3 figures, 8 tables, accepted for publication in JQSRT

Published
2020

35. Far-infrared laboratory spectroscopy of aminoacetonitrile and first interstellar detection of its vibrationally excited transitions

Author

Cristina Puzzarini, Filippo Tamassia, Arnaud Belloche, Olivier Pirali, Robin T. Garrod, Luca Bizzocchi, Karl M. Menten, Mattia Melosso, Luca Dore, Marie-Aline Martin-Drumel, Holger S. P. Müller, Dipartimento di Chimica 'Giacomo Ciamician', Alma Mater Studiorum Università di Bologna [Bologna] (UNIBO), Max-Planck-Institut für Radioastronomie (MPIFR), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Dipartimento di Chimica Industriale 'Toso Montanari', Max-Planck-Institut für Extraterrestrische Physik (MPE), University of Virginia [Charlottesville], Physikalisches Institut [Köln], Universität zu Köln, Melosso M., Belloche A., Martin-Drumel M.-A., Pirali O., Tamassia F., Bizzocchi L., Garrod R.T., Muller H.S.P., Menten K.M., Dore L., and Puzzarini C.

Subjects
Methods: laboratory: molecular, Line: identification, FOS: Physical sciences, Techniques: spectroscopic, Context (language use), ISM: molecule, Astrophysics, 01 natural sciences, Spectral line, chemistry.chemical_compound, 0103 physical sciences, Aminoacetonitrile, Sagittarius B2, Emission spectrum, Spectroscopy, 010303 astronomy & astrophysics, Astrophysics::Galaxy Astrophysics, Astrochemistry, Physics, 010304 chemical physics, Astronomy and Astrophysics, Astrophysics - Astrophysics of Galaxies, ISM: abundance, chemistry, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA), Excited state, Atomic physics, Ground state, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], [CHIM.OTHE]Chemical Sciences/Other
Abstract

Aminoacetonitrile, a molecule detected in the interstellar medium only towards the star-forming region Sagittarius B2 (Sgr B2) thus far, is considered an important prebiotic species. To date, observations were limited to ground state emission lines, whereas transitions from within vibrationally excited states remained undetected. We wanted to accurately determine the energies of the low-lying vibrational states of aminoacetonitrile, which are expected to be populated in Sgr B2(N1), the main hot core of Sgr B2(N). This step is fundamental in order to properly evaluate the vibration-rotation partition function of aminoacetonitrile as well as the line strengths of the rotational transitions of its vibrationally excited states. This is necessary to derive accurate column densities and secure the identification of these transitions in astronomical spectra. The far-infrared ro-vibrational spectrum of aminoacetonitrile has been recorded in absorption against a synchrotron source of continuum emission. Three bands, corresponding to the lowest vibrational modes of aminoacetonitrile, were observed in the frequency region below 500 cm$^{-1}$. The combined analysis of ro-vibrational and pure rotational data allowed us to prepare new spectral line catalogs for all the states under investigation. We used the imaging spectral line survey ReMoCA performed with ALMA to search for vibrationally excited aminoacetonitrile toward Sgr B2(N1). On the basis of these spectroscopic predictions, we report the interstellar detection of aminoacetonitrile in its $v_{11}=1$ and $v_{18}=1$ vibrational states toward Sgr B2(N1) in addition to emission in its vibrational ground state. The intensities of the identified $v_{11}=1$ and $v_{18}=1$ lines are consistent with the detected $v=0$ lines under LTE at a temperature of 200 K for an aminoacetonitrile column density of $1.1 \times 10^{17}$ cm$^{-2}$., 14 pages, 7 figures, 5 tables, accepted for publication in A&A

Published
2020

39. Measurement and temperature dependence of the water vapor self-continuum between 70 and 700 cm−1

Author

Mikhail Yu. Tretyakov, Alain Campargue, I. V. Ptashnik, Anna A. Simonova, T.A. Odintsova, Olivier Pirali, LAsers, Molécules et Environnement (LAME-LIPhy ), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy ), and Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)

Subjects
[PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Absorption of water, 010405 organic chemistry, Chemistry, Organic Chemistry, Radiation, 010402 general chemistry, 01 natural sciences, Synchrotron, Spectral line, 0104 chemical sciences, Analytical Chemistry, law.invention, Computational physics, Inorganic Chemistry, Amplitude, law, Globar, Wavenumber, Spectroscopy, Water vapor, ComputingMilieux_MISCELLANEOUS
Abstract

We present new measurements and analysis of the water absorption spectra in the region of the rotational band, between 70 and 700 cm−1. The higher pressures of the recordings (up to 16 mbar) as compared to our previous measurements allowed us to extend the retrieval of the water vapor self-continuum absorption from 500 to 700 cm−1 and to test our earlier results up to 500 cm−1. As a result, the continuum amplitude at high wavenumbers, determined with smaller uncertainty, shows an improved agreement with literature experimental data. The measurements were performed at two temperatures (296 and 326 K) using two radiation sources of significantly different power ranges: SOLEIL synchrotron and globar. The quadratic pressure dependence of the self-continuum absorption was verified leading to consistent values of cross-sections derived at various experimental conditions. In addition, we obtained the first data concerning the water vapor self-continuum temperature dependence in the 84-365 cm−1 spectral range for which we present the preliminary analysis considering the available measurements and theoretical data.

Published
2020

40. Conformational Landscape of Oxygen-Containing Naphthalene Derivatives

Author

Marie-Aline Martin-Drumel, Valérie Vallet, Manuel Goubet, Florent Réal, Olivier Pirali, Physique Moléculaire aux Interfaces (PMI), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Physico-Chimie Moléculaire Théorique (PCMT), CPER CLIMIBIO, Programme National 'Physique et Chimie du Milieu Interstellaire' (PCMI) of CNRS/INSU with INC/INP co-funded by CEA and CNES, ANR-11-LABX-0005,Cappa,Physiques et Chimie de l'Environnement Atmosphérique(2011), ANR-11-IDEX-0003,IPS,Idex Paris-Saclay(2011), and ANR-16-IDEX-0004,ULNE,ULNE(2016)

Subjects
Chemical Physics (physics.chem-ph), Steric effects, 010304 chemical physics, Hydrogen bond, FOS: Physical sciences, Infrared spectroscopy, Aromaticity, 010402 general chemistry, Ring (chemistry), 01 natural sciences, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry.chemical_compound, chemistry, 13. Climate action, Computational chemistry, Physics - Chemical Physics, Intramolecular force, 0103 physical sciences, Molecule, Physics - Atomic and Molecular Clusters, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Atomic and Molecular Clusters (physics.atm-clus), Naphthalene
Abstract

International audience; Polycyclic aromatic compounds (PACs) constitute an important class of molecules found in various environments and are considered important pollutants of the Earth's atmosphere. In particular, functionalization of PACs modify the ring aromaticity, which greatly influences the chemical reactivity of these species. In this work we studied several oxygen-containing PACs, relevant to atmospheric chemistry. We investigated the conformational landscape of four naphthalene-derivative molecules -- namely ,1- and 2-hydroxynaphthalene and 1- and 2-naphthaldehyde -- by means of rotational and vibrational spectroscopy supported by quantum chemical calculations. For 1-hydroxynaphthalene and 1-naphthaldehyde, intramolecular hydrogen bonding and steric effects drive the conformational preferences while for 2-hydroxynaphthalene and 2-naphthaldehyde, the charge distributions allow us to understand the conformational landscape. This work not only demonstrates how the localization of the substitution group in the ring influences the conformational relative energies and but also constitutes a step toward a better understanding of the different chemical reactivity of such functionalized PACs.

Published
2020

41. Synchrotron-Based High Resolution Far-Infrared Spectroscopy of trans-Butadiene

Author

Joshua H. Baraban, Manuel Goubet, Brant Billinghurst, Jessica P. Porterfield, P. Soulard, Robert Georges, Pierre Asselin, Matthew Nava, Marie-Aline Martin-Drumel, P. Bryan Changala, Olivier Pirali, Michael C. McCarthy, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Physique Moléculaire aux Interfaces (PMI), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Dynamique Interactions et Réactivité (LADIR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), Massachusetts Institute of Technology (MIT), Joint Institute for Laboratory Astrophysics (JILA), National Institute of Standards and Technology [Gaithersburg] (NIST)-University of Colorado [Boulder], Ligne AILES, Synchrotron SOLEIL, University of Colorado [Boulder], CHE-1566266, Division of Chemistry, 80NSSC18K0396, Astrophysics Science Division, and Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS]Physics [physics], 010304 chemical physics, Infrared, Chemistry, High resolution, Synchrotron radiation, 010402 general chemistry, 01 natural sciences, Synchrotron, Fourier transform spectroscopy, 0104 chemical sciences, law.invention, law, 0103 physical sciences, Far infrared spectroscopy, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Atomic physics, Spectroscopy, Molecular physics, Conformational isomerism
Abstract

International audience; The high resolution far-infrared spectrum of trans-butadiene has been reinvestigated by Fourier-transform spectroscopy at two synchrotron radiation facilities, SOLEIL and the Canadian Light Source, at temperatures ranging from 50 to 340 K. Beyond the well-studied bands, two new fundamental bands lying below 1100 cm−1 , ν10 and ν24 , have been assigned using a combination of cross-correlation (ASAP software) and Loomis-Wood type (LWWa software) diagrams. While the ν24 analysis was rather straightforward, ν10 exhibits obvious signs of a strong perturbation, presumably owing to interaction with the dark ν9 + ν12 state. Effective rotational constants have been derived for both the v10 = 1 and v24 = 1 states. Since only one weak, infrared active fundamental band (ν23) of trans-butadiene remains to be observed at high resolution in the far-infrared, searches for the elusive gauche conformer can now be undertaken with considerably greater confidence in the dense ro-vibrational spectrum of the trans form.

Published
2020

42. Synchrotron-Based High Resolution Far-Infrared Spectroscopy of

Author

Marie-Aline, Martin-Drumel, Jessica P, Porterfield, Manuel, Goubet, Pierre, Asselin, Robert, Georges, Pascale, Soulard, Matthew, Nava, P Bryan, Changala, Brant, Billinghurst, Olivier, Pirali, Michael C, McCarthy, and Joshua H, Baraban

Abstract

The high resolution far-infrared spectrum of

Published
2020

43. The O2 far-infrared absorption spectrum between 50 and 170 cm-1

Author

T.A. Odintsova, Alain Campargue, M.Yu. Tretyakov, M. Toureille, S. Béguier, Olivier Pirali, LAsers, Molécules et Environnement (LAME-LIPhy ), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy ), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), and Université Grenoble Alpes (UGA)

Subjects
[PHYS]Physics [physics], [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Radiation, Materials science, 010504 meteorology & atmospheric sciences, Absorption spectroscopy, Fourier transform spectrometers, 01 natural sciences, Atomic and Molecular Physics, and Optics, Synchrotron, law.invention, Beamline, Far infrared, law, HITRAN, Atomic physics, Magnetic dipole, Spectroscopy, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Line (formation)
Abstract

The oxygen absorption spectrum in the 50–170 cm-1 spectral range is studied at the AILES beam line of the SOLEIL synchrotron with a Fourier transform spectrometer equipped with a 151-m multipass gas cell. The spectrum recorded at room temperature (23.15 °C) with a pressure of 19.76 Torr is formed by weak pure rotational magnetic dipole transitions. Line parameters of 26 lines are derived and compared to literature values. In particular, measured line intensities confirm the 45 years-old previous values reported by Boreiko et al. (J. Quant. Spectrosc. Radiat. Transfer 32 (1984)109–117). The agreement with HITRAN intensities (within 1% level for the strongest lines) indicates that the 20% HITRAN error estimate was overly cautious: we show that the error is more likely within 2%.

Published
2020

45. Pure rotation spectrum of CF4 in the v3= 1 state using THz synchrotron radiation

Author

Vincent Boudon, Olivier Pirali, M. Carlos, Cyril Richard, Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), and Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010504 meteorology & atmospheric sciences, Terahertz radiation, Synchrotron radiation, 02 engineering and technology, 7. Clean energy, 01 natural sciences, Hot band, law.invention, symbols.namesake, law, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS, Spectroscopy, 0105 earth and related environmental sciences, Physics, Rotational–vibrational spectroscopy, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, Synchrotron, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Dipole, Fourier transform, 13. Climate action, symbols, Atomic physics, 0210 nano-technology, Microwave
Abstract

Spherical-top tetrahedral species like CH 4 , SiH 4 , CF 4 , …possess no permanent dipole moment. Therefore, probing their pure rotation spectrum is very challenging since only a very weak dipole moment can be induced by centrifugal distortion and/or rovibrational interaction. If some Q branch lines have been recorded thanks to microwave techniques, R branch lines in the THz region have been poorly explored until recently. In previous studies, we have reported the pure rotation THz spectrum of cold and hot band lines of methane recorded at the SOLEIL Synchrotron facility. Here, we present the first recorded THz spectrum of the R branch of CF 4 , a powerful greenhouse gas, in its v 3 = 1 state. This Fourier transform spectrum covers the R ( 20 ) to R ( 37 ) line clusters, in the 20–37 cm −1 spectral range. It was recorded thanks to a 150 m multiple path cell at room temperature. We could estimate the vibration-induced dipole moment value and also include the recorded line positions in a global fit of many CF 4 transitions.

Published
2018

46. Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes

Author

Zachary Buchanan, Manuel Goubet, Mattia Melosso, Kin Long Kelvin Lee, Brett A. McGuire, Olivia Chitarra, Olivier Pirali, Marie-Aline Martin-Drumel, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Massachusetts Institute of Technology (MIT), University of California [Davis] (UC Davis), University of California (UC), University of Bologna/Università di Bologna, Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Physique Moléculaire aux Interfaces (PMI), Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Région Ile-de-France DIM-ACAV+, Programme National ‘Physique et Chimie du Milieu Interstellaire’ (PCMI) of CNRS/INSU with INC/INP co-funded by CEA and CNES, ‘Groupe de Recherche’ SpecMo (GdR CNRS no. 3152), Chateaubriand Fellowship of the Office for Science & Technology of the Embassy of France in the United States, ANR-19-CE30-0017,LISTed,Etude en laboratoire d'espèces réactives par taxonomie spectrale(2019), Chitarra, O, Lee, KLK, Buchanan, Z, Melosso, M, McGuire, BA, Goubet, M, Pirali, O, Martin-Drumel, MA, University of California, and University of Bologna

Subjects
Astrochemistry, methods: laboratory: molecular, spectroscopic -Astrochemistry -ISM, Context (language use), Astrophysics, 010402 general chemistry, 01 natural sciences, Molecular physics, Spectral line, chemistry.chemical_compound, symbols.namesake, 0103 physical sciences, Methods, Molecule, molecular -techniques, Physics::Chemical Physics, 010303 astronomy & astrophysics, Astrophysics::Galaxy Astrophysics, Quantum chemical, Physics, astrochemistry, submillimeter: general, Astronomy and Astrophysics, Markov chain Monte Carlo, ISM: abundance, 0104 chemical sciences, abundances -Submillimeter, Benzonitrile, [PHYS.ASTR.GA]Physics [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], chemistry, general, 13. Climate action, Space and Planetary Science, symbols, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Rotational spectroscopy, laboratory, techniques: spectroscopic
Abstract

Context. The recent interstellar detections of –CN containing aromatic species, namely benzonitrile, 1-cyanonaphthalene, and 2-cyanonaphthalene, bring renewed interest in related molecules that could participate in similar reaction networks. Aims. To enable new interstellar searches for benzonitrile derivatives, the pure rotational spectra of several related species need to be investigated in the laboratory. Methods. We have recorded the pure rotational spectra of ortho- and meta-dicyanobenzene in the centimetre and millimetre-wave domains. Assignments were supported by high-level quantum chemical calculations. Using Markov chain Monte Carlo simulations, we also searched for evidence of these molecules towards TMC-1 using the GOTHAM survey. Results. Accurate spectroscopic parameters are derived from the analysis of the experimental spectra, allowing for reliable predictions at temperatures of interest (i.e. 10–300 K) for astronomical searches. Our searches in TMC-1 for both ortho- and meta-isomers provide upper limits for the abundances of the species.

Published
2021

47. High-resolution spectroscopy and global analysis of CF 4 rovibrational bands to model its atmospheric absorption

Author

Manuel Goubet, Maud Rotger, C. Maul, A.V. Domanskaya, C. Sydow, M. Carlos, Thérèse R. Huet, Pierre Asselin, P. Soulard, X. Thomas, Cyril Richard, Olivier Pirali, O. Gruson, Robert Georges, Vincent Boudon, Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Institut de recherche en astrophysique et planétologie (IRAP), Institut national des sciences de l'Univers (INSU - CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Technische Universität Braunschweig = Technical University of Braunschweig [Braunschweig], St Petersburg State University (SPbU), Institut de Physique de Rennes (IPR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (MONARIS), Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne ( LICB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Institut de recherche en astrophysique et planétologie ( IRAP ), Université Paul Sabatier - Toulouse 3 ( UPS ) -Observatoire Midi-Pyrénées ( OMP ) -Centre National de la Recherche Scientifique ( CNRS ), Groupe de spectrométrie moléculaire et atmosphérique - UMR 7331 ( GSMA ), Université de Reims Champagne-Ardenne ( URCA ) -Centre National de la Recherche Scientifique ( CNRS ), Technische Universität Braunschweig [Braunschweig], St Petersburg State University ( SPbU ), Institut de Physique de Rennes ( IPR ), Université de Rennes 1 ( UR1 ), Université de Rennes ( UNIV-RENNES ) -Université de Rennes ( UNIV-RENNES ) -Centre National de la Recherche Scientifique ( CNRS ), De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies ( MONARIS ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Institut des Sciences Moléculaires d'Orsay ( ISMO ), Université Paris-Sud - Paris 11 ( UP11 ) -Centre National de la Recherche Scientifique ( CNRS ), Synchrotron SOLEIL ( SSOLEIL ), Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 ( PhLAM ), Université de Lille-Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), and Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010504 meteorology & atmospheric sciences, Opacity, [ PHYS.PHYS.PHYS-ATOM-PH ] Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], Fourrier Transform Infrared Spectroscopy, 01 natural sciences, Hot band, Spherical Top, chemistry.chemical_compound, 0103 physical sciences, Radiative transfer, Physique moléculaire, Spectroscopy, Absorption (electromagnetic radiation), 0105 earth and related environmental sciences, [PHYS]Physics [physics], Physics, [ PHYS ] Physics [physics], Radiation, Line Positions and Intensities, [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], 010304 chemical physics, Tensorial Formalism, Rotational–vibrational spectroscopy, Carbon tetrafluoride, Atomic and Molecular Physics, and Optics, chemistry, 13. Climate action, Global fit, Tetrafluoromethane, HITRAN, Atomic physics, Molecular physics
Abstract

CF4, or tetrafluoromethane, is a chemically inert and strongly absorbing greenhouse gas, mainly of anthropogenic origin. In order to monitor and reduce its atmospheric emissions and concentration, it is thus necessary to obtain an accurate model of its infrared absorption. Such models allow opacity calculations for radiative transfer atmospheric models. In the present work, we perform a global analysis (divided into two distinct fitting schemes) of 17 rovibrational bands of CF4. This gives a reliable model of many of its lower rovibrational levels and allows the calculation of the infrared absorption in the strongly absorbing ν3 region (1283 cm − 1 / 7.8 μm), including the main hot band, namely ν 3 + ν 2 − ν 2 as well as ν 3 + ν 1 − ν 1 ; we could also extrapolate the ν 3 + ν 4 − ν 4 absorption. This represents almost 92% of the absorption at room temperature in this spectral region. A new accurate value of the C–F bond length is evaluated to r e = 1.314860 ( 21 ) A. The present results have been used to update the HITRAN, GEISA and TFMeCaSDa (VAMDC) databases.

Published
2017

48. Water vapor continuum in the range of rotational spectrum of H2O molecule: New experimental data and their comparative analysis

Author

Pascal Roy, T.A. Odintsova, M.Yu. Tretyakov, and Olivier Pirali

Subjects
Physics, Water dimer, Radiation, 010504 meteorology & atmospheric sciences, Continuum (measurement), business.industry, 01 natural sciences, Atomic and Molecular Physics, and Optics, Synchrotron, Spectral line, law.invention, Optics, Beamline, law, 0103 physical sciences, Molecule, Atomic physics, 010306 general physics, business, Spectroscopy, Water vapor, 0105 earth and related environmental sciences
Abstract

We present laboratory measurements of the water vapor continuum absorption in the far-IR region from 14 to 200 cm−1. These data were obtained using a Fourier Transform spectrometer IFS125 HR associated with a multipass absorption cell and with the synchrotron far-IR broadband radiation extracted by the AILES beamline of SOLEIL facility. The spectra were recorded at room temperature (296 K) and pressures ranging from 2.73 to 15.1 mbar. A comparison with presently available experimental data is presented and the nature of the possible contributors to the continuum is discussed. The new data considerably extend and unify diverging results of previous measurements of the continuum performed in several spots within the range from about 3 cm−1 up to 84 cm−1. The new evidence of significant contribution of the water dimer to the continuum formation is revealed in the range of 14–35 cm−1. Analysis of the possible cause of the observed continuum indicates that its significant part in the range of the maximum intensity of water monomer rotational spectrum cannot be explained within the current understanding of the continuum origin.

Published
2017

49. Broadband terahertz heterodyne spectrometer exploiting synchrotron radiation at sub-megahertz resolution

Author

Francis Hindle, Gaël Mouret, S. Eliet, Joan Turut, Pascal Roy, M.-A. Martin-mel, Olivier Pirali, Zachary Buchanan, J.-F. Lampin, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), Laboratoire de Physico-Chimie de l'Atmosphère (LPCA), Université du Littoral Côte d'Opale (ULCO), Photonique THz - IEMN (PHOTONIQUE THz - IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), and Photonique THz - IEMN (PHOTONIQ THz - IEMN)

Subjects
Heterodyne, Materials science, Spectrometer, business.industry, Terahertz radiation, Synchrotron radiation, Laser, Synchrotron, law.invention, [SPI]Engineering Sciences [physics], Optics, Beamline, law, Heterodyne detection, [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], business
Abstract

International audience; A new spectrometer on the AILES beamline of the SOLEIL synchrotron facility to achieve sub-MHz resolution in the THz and far-IR regions is currently being developed. Thanks to a dedicated heterodyne detection by use of a new kind of molecular laser as local oscillator along with a Fast Fourier Transform Spectrometer, several pure rotation absorption lines of H 2 S and CH 3 OH around 1.073 THz have been recorded.

Published
2019

50. Enlarging the Frontiers of Research in the IR/mm Range Using Synchrotron Radiation

Author

T. Souske, Gaël Mouret, Clement Evain, Benjamin Langerome, Francis Hindle, Marie-Aline Martin-Drumel, Francesco Capitani, Eléonore Roussel, J-B. Brubach, Marine Verseils, Sophie Eliet, Olivier Pirali, Thomas Timusk, C. Szwaj, Serge Bielawski, J.F. Lampin, Pascale Roy, Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS), Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), Photonique THz - IEMN (PHOTONIQUE THz - IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), Ligne AILES, Synchrotron SOLEIL, Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physico-Chimie de l'Atmosphère (LPCA), Université du Littoral Côte d'Opale (ULCO), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), NONE FOUND, Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Muséum national d'Histoire naturelle (MNHN)-Centre National de la Recherche Scientifique (CNRS), Photonique THz - IEMN (PHOTONIQ THz - IEMN), and Université du Littoral Côte d'Opale (ULCO)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Brightness, Range (particle radiation), Materials science, Temperature measurement, Infrared, Terahertz radiation, business.industry, Optical films, [PHYS.PHYS.PHYS-ACC-PH]Physics [physics]/Physics [physics]/Accelerator Physics [physics.acc-ph], Synchrotron radiation, Reflectivity, Optical filters, Interferometry, Optics, Optical interferometry, Optical reflection, Frequency measurement, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], business, Optical filter, ComputingMilieux_MISCELLANEOUS
Abstract

International audience; Abstract:Optical probes are among the most important techniques for characterizing new physical states induced by changes of temperature and/or pressure. In link with its high brightness and wide spectral coverage, infrared synchrotron radiation is ideally suited for such studies when the quantity of material to investigate is limited or when the system needs to be probed down to the sub mm domain.

Published
2019

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