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  • 1.
    Gordon, I.E.
    et al.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Rothman, L.S.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Hargreaves, R.J.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Hashemi, R.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Karlovets, E.V.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Skinner, F.M.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Conway, E.K.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Hill, C.
    Nuclear Data Section, International Atomic Energy Agency, Vienna International Centre, PO Box 100, Vienna, Austria.
    Kochanov, R.V.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States; V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation; QUAMER laboratory, Tomsk State University, Tomsk, Russian Federation.
    Tan, Y.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States; Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei, China.
    Wcisło, P.
    Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Torun, Grudziadzka 5, Torun, Poland.
    Finenko, A.A.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States; Department of Chemistry, Lomonosov Moscow State University, Moscow, Russian Federation.
    Nelson, K.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Bernath, P.F.
    Department of Chemistry, Old Dominion University, VA, Norfolk, United States.
    Birk, M.
    German Aerospace Center (DLR), Remote Sensing Technology Institute, Wessling, Germany.
    Boudon, V.
    Laboratoire Interdisciplinaire Carnot de Bourgogne, Université de Bourgogne Franche-Comté, UMR 6303 CNRS, Dijon Cedex, France.
    Campargue, A.
    University of Grenoble Alpes, CNRS, LIPhy, Grenoble, France.
    Chance, K.V.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Coustenis, A.
    Laboratoire d'Etudes Spatiales et d'Instrumentation en Astrophysique, Paris Observatory, CNRS, PSL University, Sorbonne University, Paris, France.
    Drouin, B.J.
    Jet Propulsion Laboratory, California Institute of Technology, CA, Pasadena, United States.
    Flaud, J.M.
    Institut des Sciences Moléculaires d'Orsay, CNRS, Université Paris-Sud, Université Paris-Saclay, Orsay, France.
    Gamache, R.R.
    Department of Environmental, Earth & Atmospheric Sciences, University of Massachusetts, MA, Lowell, United States.
    Hodges, J.T.
    Chemical Sciences Division, National Institute of Standards and Technology, MD, Gaithersburg, United States.
    Jacquemart, D.
    Sorbonne Université, CNRS, De la MOlécule aux NAno-objets : Réactivité, Interactions et Spectroscopies, MONARIS, Paris, France.
    Mlawer, E.J.
    Atmospheric and Environmental Research, MA, Lexington, United States.
    Nikitin, A.V.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Perevalov, V.I.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Rotger, M.
    Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, BP 1039, Reims Cedex 2, France.
    Tennyson, J.
    Department of Physics and Astronomy, University College London, London, United Kingdom.
    Toon, G.C.
    Jet Propulsion Laboratory, California Institute of Technology, CA, Pasadena, United States.
    Tran, H.
    Laboratoire de Météorologie Dynamique/IPSL, CNRS, Sorbonne Université, École normale supérieure, PSL Research University, École polytechnique, Paris, France.
    Tyuterev, V.G.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation; QUAMER laboratory, Tomsk State University, Tomsk, Russian Federation; Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, BP 1039, Reims Cedex 2, France.
    Adkins, E.M.
    Chemical Sciences Division, National Institute of Standards and Technology, MD, Gaithersburg, United States.
    Baker, A.
    Division of Astronomy, California Institute of Technology, CA, Pasadena, United States.
    Barbe, A.
    Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, BP 1039, Reims Cedex 2, France.
    Canè, E.
    Dipartimento di Chimica Industriale “Toso Montanari”, Università di Bologna, Viale Risorgimento 4, Bologna, Italy.
    Császár, A.G.
    MTA-ELTE Complex Chemical Systems Research Group, Budapest, Hungary; Eötvös Loránd University, Institute of Chemistry, Budapest, Hungary.
    Dudaryonok, A.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Egorov, O.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Fleisher, A.J.
    Chemical Sciences Division, National Institute of Standards and Technology, MD, Gaithersburg, United States.
    Fleurbaey, H.
    University of Grenoble Alpes, CNRS, LIPhy, Grenoble, France.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Furtenbacher, T.
    MTA-ELTE Complex Chemical Systems Research Group, Budapest, Hungary.
    Harrison, J.J.
    Department of Physics and Astronomy, University of Leicester, Leicester, United Kingdom; University of Leicester, National Centre for Earth Observation, Leicester, United Kingdom; University of Leicester, Leicester Institute for Space and Earth Observation, Leicester, United Kingdom.
    Hartmann, J.M.
    Laboratoire de Météorologie Dynamique/IPSL, CNRS, École polytechnique, Sorbonne Université, École normale supérieure, PSL Research University, Palaiseau, France.
    Horneman, V.M.
    Department of Physics, University of Oulu, Finland.
    Huang, X.
    SETI Institute, CA, Mountain View, United States.
    Karman, T.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States.
    Karns, J.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States; Golisano College of Computing and Information Sciences, Rochester Institute of Technology, NY, Rochester, United States; Computer Science Department, State University of New York at Oswego, NY, Oswego, United States.
    Kassi, S.
    University of Grenoble Alpes, CNRS, LIPhy, Grenoble, France.
    Kleiner, I.
    Université de Paris and Univ Paris Est Creteil, CNRS, LISA, Paris, France.
    Kofman, V.
    NASA Goddard Space Flight Center, MD, Greenbelt, United States.
    Kwabia-Tchana, F.
    Université de Paris and Univ Paris Est Creteil, CNRS, LISA, Paris, France.
    Lavrentieva, N.N.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Lee, T.J.
    Planetary Systems Branch, Space Science and Astrobiology Division, NASA Ames Research Center, CA, Moffett Field, United States.
    Long, D.A.
    Chemical Sciences Division, National Institute of Standards and Technology, MD, Gaithersburg, United States.
    Lukashevskaya, A.A.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Lyulin, O.M.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Makhnev, V.Yu.
    Institute of Applied Physics of Russian Academy of Sciences, Nizhny Novgorod, Russian Federation.
    Matt, W.
    Center for Astrophysics |Harvard & Smithsonian, Atomic and Molecular Physics Division, MA, Cambridge, United States; Computer Science Department, State University of New York at Oswego, NY, Oswego, United States.
    Massie, S.T.
    University of Colorado, Laboratory for Atmospheric and Space Physics, CO, Boulder, United States.
    Melosso, M.
    Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via F. Selmi 2, Bologna, Italy.
    Mikhailenko, S.N.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Mondelain, D.
    University of Grenoble Alpes, CNRS, LIPhy, Grenoble, France.
    Müller, H.S.P.
    I. Physikalisches Institut, Universität zu Köln, Köln, Germany.
    Naumenko, O.V.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Perrin, A.
    Laboratoire de Météorologie Dynamique/IPSL, CNRS, Sorbonne Université, École normale supérieure, PSL Research University, École polytechnique, Paris, France.
    Polyansky, O.L.
    Department of Physics and Astronomy, University College London, London, United Kingdom; Institute of Applied Physics of Russian Academy of Sciences, Nizhny Novgorod, Russian Federation.
    Raddaoui, E.
    Sorbonne Université, CNRS, De la MOlécule aux NAno-objets : Réactivité, Interactions et Spectroscopies, MONARIS, Paris, France.
    Raston, P.L.
    Department of Chemistry and Biochemistry, James Madison University, VA, Harrisonburg, United States; Department of Chemistry, University of Adelaide, South Australia, Australia.
    Reed, Z.D.
    Chemical Sciences Division, National Institute of Standards and Technology, MD, Gaithersburg, United States.
    Rey, M.
    Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, BP 1039, Reims Cedex 2, France.
    Richard, C.
    Laboratoire Interdisciplinaire Carnot de Bourgogne, Université de Bourgogne Franche-Comté, UMR 6303 CNRS, Dijon Cedex, France.
    Tóbiás, R.
    MTA-ELTE Complex Chemical Systems Research Group, Budapest, Hungary.
    Sadiek, I.
    Umeå University, Faculty of Science and Technology, Department of Physics. Leibniz Institute for Plasma Science and Technology (INP), Greifswald, Germany.
    Schwenke, D.W.
    Planetary Systems Branch, Space Science and Astrobiology Division, NASA Ames Research Center, CA, Moffett Field, United States.
    Starikova, E.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Sung, K.
    Jet Propulsion Laboratory, California Institute of Technology, CA, Pasadena, United States.
    Tamassia, F.
    Dipartimento di Chimica Industriale “Toso Montanari”, Università di Bologna, Viale Risorgimento 4, Bologna, Italy.
    Tashkun, S.A.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Vander Auwera, J.
    Université Libre de Bruxelles, Spectroscopy, Quantum Chemistry and Atmospheric Remote Sensing (SQUARES), C.P. 160/09, Brussels, Belgium.
    Vasilenko, I.A.
    V.E. Zuev Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Russian Academy of Sciences, Tomsk, Russian Federation.
    Vigasin, A.A.
    Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences, Pyzhevsky per. 3, Moscow, Russian Federation.
    Villanueva, G.L.
    NASA Goddard Space Flight Center, MD, Greenbelt, United States.
    Vispoel, B.
    Department of Environmental, Earth & Atmospheric Sciences, University of Massachusetts, MA, Lowell, United States; Research Unit Lasers and Spectroscopies (LLS), Institute of Life, Earth and Environment (ILEE), University of Namur (UNamur), Namur, Belgium; Royal Belgian Institute for Space Aeronomy (BIRA-IASB), Brussels, Belgium.
    Wagner, G.
    German Aerospace Center (DLR), Remote Sensing Technology Institute, Wessling, Germany.
    Yachmenev, A.
    Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, Hamburg, Germany; Hamburg Center for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, Hamburg, Germany.
    Yurchenko, S.N.
    Department of Physics and Astronomy, University College London, London, United Kingdom.
    The HITRAN2020 molecular spectroscopic database2022In: Journal of Quantitative Spectroscopy and Radiative Transfer, ISSN 0022-4073, E-ISSN 1879-1352, Vol. 277, article id 107949Article in journal (Refereed)
    Abstract [en]

    The HITRAN database is a compilation of molecular spectroscopic parameters. It was established in the early 1970s and is used by various computer codes to predict and simulate the transmission and emission of light in gaseous media (with an emphasis on terrestrial and planetary atmospheres). The HITRAN compilation is composed of five major components: the line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, experimental infrared absorption cross-sections (for molecules where it is not yet feasible for representation in a line-by-line form), collision-induced absorption data, aerosol indices of refraction, and general tables (including partition sums) that apply globally to the data. This paper describes the contents of the 2020 quadrennial edition of HITRAN. The HITRAN2020 edition takes advantage of recent experimental and theoretical data that were meticulously validated, in particular, against laboratory and atmospheric spectra. The new edition replaces the previous HITRAN edition of 2016 (including its updates during the intervening years). All five components of HITRAN have undergone major updates. In particular, the extent of the updates in the HITRAN2020 edition range from updating a few lines of specific molecules to complete replacements of the lists, and also the introduction of additional isotopologues and new (to HITRAN) molecules: SO, CH3F, GeH4, CS2, CH3I and NF3. Many new vibrational bands were added, extending the spectral coverage and completeness of the line lists. Also, the accuracy of the parameters for major atmospheric absorbers has been increased substantially, often featuring sub-percent uncertainties. Broadening parameters associated with the ambient pressure of water vapor were introduced to HITRAN for the first time and are now available for several molecules. The HITRAN2020 edition continues to take advantage of the relational structure and efficient interface available at www.hitran.org and the HITRAN Application Programming Interface (HAPI). The functionality of both tools has been extended for the new edition.

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  • 2.
    Hjältén, Adrian
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Sadiek, Ibrahim
    Umeå University, Faculty of Science and Technology, Department of Physics. Leibniz Institute for Plasma Science and Technology (INP), Greifswald, Germany.
    Line positions and intensities of the ν1 band of 12CH3I using mid-infrared optical frequency comb Fourier transform spectroscopy2023In: Journal of Quantitative Spectroscopy and Radiative Transfer, ISSN 0022-4073, E-ISSN 1879-1352, Vol. 306, article id 108646Article in journal (Refereed)
    Abstract [en]

    We present a new spectral analysis of the ν1 and ν3+ν1−ν3 bands of 12CH3I around 2971 cm−1 based on a high-resolution spectrum spanning from 2800 cm–1 to 3160 cm–1, measured using an optical frequency comb Fourier transform spectrometer. From this spectrum, we previously assigned the ν4 and ν3+ν4−ν3 bands around 3060 cm–1 using PGOPHER, and the line list was incorporated in the HITRAN database. Here, we treat the two fundamental bands, ν1 and ν4, together with the perturbing states, 2ν2+ν3 and ν2+2ν6±2, as a four-level system connected via Coriolis and Fermi interactions. A similar four-level system is assumed to connect the two ν3+ν1−ν3 and ν3+ν4−ν3 hot bands, which appear due to the population of the low-lying ν3 state at room temperature, with the 2ν2+2ν3 and ν2+ν3+2ν6±2 perturbing states. This spectroscopic treatment provides a good global agreement of the simulated spectra with experiment, and hence accurate line lists and band parameters of the four connected vibrational states in each system. It also allows revisiting the analysis of the ν4 and ν3+ν4−ν3 bands, which were previously treated as separate bands, not connected to their ν1 and ν3+ν1−ν3 counterparts. Overall, we assign 4665 transitions in the fundamental band system, with an average error of 0.00071 cm–1, a factor of two better than earlier work on the ν1 band using conventional Fourier transform infrared spectroscopy. The ν1 band shows hyperfine splitting, resolvable for transitions with J ≤ 2 × K. Finally, the spectral intensities of 65 lines of the ν1 band and 7 lines of the ν3+ν1−ν3 band are reported for the first time using the Voigt line shape as a model in multispectral fitting. The reported line lists and intensities will serve as a reference for high-resolution molecular spectroscopic databases, and as a basis for line selection in future monitoring applications of CH3I.

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  • 3.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics. Leibniz Institute for Plasma Science and Technology (INP), Greifswald, Germany.
    Hjältén, Adrian
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Line positions and intensities of 12CH3I around 2971 cm-1 from frequency comb fourier transform spectroscopy2023In: CLEO 2023: Proceedings, Optical Society of America, 2023, article id JTh2A.100Conference paper (Refereed)
    Abstract [en]

    We use the high-resolution spectrum of 12CH3I measured using a comb-based Fourier transform spectrometer to extend line assignments to the 2971 cm-1 region and introduce line positions and intensities of the V1 and v3+v1-v3 bands.

  • 4.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics. Leibniz Institute for Plasma Science and Technology, Greifswald, Germany.
    Hjältén, Adrian
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Roberts, Frances C.
    School of Chemistry, University of Leeds, United Kingdom.
    Lehman, Julia H.
    School of Chemistry, University of Birmingham, United Kingdom.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Optical frequency comb-based measurements and the revisited assignment of high-resolution spectra of CH2Br2 in the 2960 to 3120 cm−1 region2023In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 25, article id 8743Article in journal (Refereed)
    Abstract [en]

    Brominated organic compounds are toxic ocean-derived trace gases that affect the oxidation capacity of the atmosphere and contribute to its bromine burden. Quantitative spectroscopic detection of these gases is limited by the lack of accurate absorption cross-section data as well as rigorous spectroscopic models. This work presents measurements of high-resolution spectra of dibromomethane, CH2Br2, from 2960 cm−1 to 3120 cm−1 by two optical frequency comb-based methods, Fourier transform spectroscopy and a spatially dispersive method based on a virtually imaged phased array. The integrated absorption cross-sections measured using the two spectrometers are in excellent agreement with each other within 4%. A revisited rovibrational assignment of the measured spectra is introduced, in which the progressions of features are attributed to hot bands rather than different isotopologues as was previously done. Overall, twelve vibrational transitions, four for each of the three isotopologues CH281Br2, CH279Br81Br, and CH279Br2, are assigned. These four vibrational transitions are attributed to the fundamental ν6 band and the nearby nν4 + ν6 − nν4 hot bands (with n = 1–3) due to the population of the low-lying ν4 mode of the Br–C–Br bending vibration at room temperature. The new simulations show very good agreement in intensities with the experiment as predicted by the Boltzmann distribution factor. The spectra of the fundamental and the hot bands show progressions of strong QKa(J) rovibrational sub-clusters. The band heads of these sub-clusters are assigned and fitted to the measured spectra, providing accurate band origins and the rotational constants for the twelve states with an average error of 0.0084 cm−1. A detailed fit of the ν6 band of the CH279Br81Br isotopologue is commenced after assigning 1808 partially resolved rovibrational lines, with the band origin, rotational, and centrifugal constants as fit parameters, resulting in an average error of 0.0011 cm−1.

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  • 5.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Hjältén, Adrian
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Stuhr, Michael
    Institute of Physical Chemistry, University of Kiel, 24118 Kiel, Germany .
    Friedrichs, Gernot
    Institute of Physical Chemistry, University of Kiel, 24118 Kiel, Germany .
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Towards a Transferable Standard for Nitrous Oxide Isotopomer Ratio2020In: 2020 Conference on Lasers and Electro-Optics (CLEO), IEEE, 2020, article id 9192530Conference paper (Refereed)
    Abstract [en]

    We report a novel approach for identifying the 15N site-preference in N2O from a chemical reaction using continuous wave cavity ringdown spectroscopy and comb-based Fourier transform spectroscopy, with the aim to establish the currently lacking international N2O isotopomer standard. 

  • 6.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Hjältén, Adrian
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Stuhr, Michael
    Institute of Physical Chemistry, University of Kiel, Kiel, Germany.
    Friedrichs, Gernot
    Institute of Physical Chemistry, University of Kiel, Kiel, Germany.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Towards a transferable standard for nitrous oxide isotopomer ratio2020In: Conference on Lasers and Electro-Optics, Optica Publishing Group (formerly OSA) , 2020, article id STu4N.4Conference paper (Refereed)
    Abstract [en]

    We report a novel approach for identifying the 15N site-preference in N2O from a chemical reaction using continuous wave cavity ringdown spectroscopy and comb-based Fourier transform spectroscopy, with the aim to establish the currently lacking international N2O isotopomer standard.

  • 7.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Hjältén, Adrian
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Stuhr, Michael
    Institute of Physical Chemistry, University of Kiel, 24118 Kiel, Germany.
    Lu, Chuang
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Vieira, Francisco Senna
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Mid-infrared comb-based fourier transform spectroscopy of halogenated volatile organic compounds2020In: 2020 Conference on Lasers and Electro-Optics (CLEO), IEEE, 2020, article id 9192281Conference paper (Refereed)
    Abstract [en]

    Broadband high-resolution spectra of two key atmospheric species, methyl iodide (CH3I) and dibromomethane (CH2Br2), are measured around 3 µm using a comb-based Fourier transform spectrometer and assigned with the help of the semi-automatic fitting in PGOPHER. 

  • 8.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Hjältén, Adrian
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Vieira, Francisco Senna
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Lu, Chuang
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Stuhr, Michael
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Line positions and intensities of the ν4 band of methyl iodide using mid-infrared optical frequency comb Fourier transform spectroscopy2020In: Journal of Quantitative Spectroscopy and Radiative Transfer, ISSN 0022-4073, E-ISSN 1879-1352, Vol. 255, article id 107263Article in journal (Refereed)
    Abstract [en]

    We use optical frequency comb Fourier transform spectroscopy to measure high-resolution spectra of iodomethane, CH3I, in the C-H stretch region from 2800 to 3160 cm(-1). The fast-scanning Fourier transform spectrometer with auto-balanced detection is based on a difference frequency generation comb with repetition rate, f(rep), of 125 MHz. A series of spectra with sample point spacing equal to f rep are measured at different f rep settings and interleaved to yield sampling point spacing of 11 MHz. Iodomethane is introduced into a 76 m long multipass absorption cell by its vapor pressure at room temperature. The measured spectrum contains three main ro-vibrational features: the parallel vibrational overtone and combination bands centered around 2850 cm(-1), the symmetric stretch nu(1) band centered at 2971 cm(-1), and the asymmetric stretch nu(4) band centered at 3060 cm(-1). The spectra of the nu(4) band and the nearby nu(3)+nu(4)-nu(3) hot band are simulated using PGOPHER and a new assignment of these bands is presented. The resolved ro-vibrational structures are used in a least square fit together with the microwave data to provide the upper state parameters. We assign 2603 transitions to the nu(4) band with a standard deviation (observed - calculated) of 0.00034 cm(-1), and 831 transitions to the nu(3)+nu(4)-nu(3) hot band with a standard deviation of 0.00084 cm(-1). For comparison, in the earlier work using standard FT-IR with 162 MHz resolution [Anttila, et al., J. Mol. Spectrosc. 1986; 119:190-200] 1830 transition were assigned to the nu(4) band, and 380 transitions to the nu(3)+nu(4)-nu(3) hot band, with standard deviations of 0.00083 cm(-1) and 0.0013 cm(-1), respectively. The hyperfine splittings due to the 127 I nuclear quadrupole moment are observed for transitions with J <= 2 x K. Finally, intensities of 157 isolated transitions in the nu(4) band are reported for the first time using the Voigt line shape as a model in multispectral fitting.

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  • 9.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Mikkonen, Tommi
    Vainio, Markku
    Toivonen, Juha
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Optical Frequency Comb Photoacoustic Spectroscopy2019In: Conference on Lasers and Electro-Optics, IEEE, 2019, article id SW3L.5Conference paper (Refereed)
    Abstract [en]

    We combine for the first time a mid-infrared optical frequency comb Fourier transform spectrometer with cantilever-enhanced photoacoustic detection and measure high-resolution broadband spectra of the fundamental band of methane in a few milliliter sample volume.

  • 10.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Mikkonen, Tommi
    Vainio, Markku
    Toivonen, Juha
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Optical frequency comb photoacoustic spectroscopy2018In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 44, p. 27849-27855Article in journal (Refereed)
    Abstract [en]

    We report the first photoacoustic detection scheme using an optical frequency comb—optical frequency comb photoacoustic spectroscopy (OFC-PAS). OFC-PAS combines the broad spectral coverage and the high resolution of OFCs with the small sample volume of cantilever-enhanced PA detection. In OFC-PAS, a Fourier transform spectrometer (FTS) is used to modulate the intensity of the exciting comb source at a frequency determined by its scanning speed. One of the FTS outputs is directed to the PA cell and the other is measured simultaneously with a photodiode and used to normalize the PA signal. The cantilever-enhanced PA detector operates in a non-resonant mode, enabling detection of a broadband frequency response. The broadband and the high-resolution capabilities of OFC-PAS are demonstrated by measuring the rovibrational spectra of the fundamental C–H stretch band of CH4, with no instrumental line shape distortions, at total pressures of 1000 mbar, 650 mbar, and 400 mbar. In this first demonstration, a spectral resolution two orders of magnitude better than previously reported with broadband PAS is obtained, limited by the pressure broadening. A limit of detection of 0.8 ppm of methane in N2 is accomplished in a single interferogram measurement (200 s measurement time, 1000 MHz spectral resolution, 1000 mbar total pressure) for an exciting power spectral density of 42 μW/cm−1. A normalized noise equivalent absorption of 8 × 10−10 W cm−1 Hz−1/2 is obtained, which is only a factor of three higher than the best reported with PAS based on continuous wave lasers. A wide dynamic range of up to four orders of magnitude and a very good linearity (limited by the Beer–Lambert law) over two orders of magnitude are realized. OFC-PAS extends the capability of optical sensors for multispecies trace gas analysis in small sample volumes with high resolution and selectivity.

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  • 11.
    Sadiek, Ibrahim
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Mikkonen, Tommi
    Photonics Laboratory, Tampere University, Tampere, Finland.
    Vainio, Markku
    Photonics Laboratory, Tampere University, Tampere, Finland; Department of Chemistry, University of Helsinki, Finland.
    Toivonen, Juha
    Photonics Laboratory, Tampere University, Tampere, Finland.
    Foltynowicz, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Optical frequency comb photoacoustic spectroscopy2019In: 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC), IEEE, 2019Conference paper (Refereed)
    Abstract [en]

    Photoacoustic spectroscopy (PAS) based on continuous wave (cw) lasers provides high absorption sensitivity in small sample volume [1, 2] but it is usually restricted to single species detection because of the limited tunability of cw lasers. Broadband PAS has been demonstrated using cantilever-enhanced detectors in combination with incoherent [3] or supercontinuum [4] light sources modulated by conventional Fourier transform spectrometers (FTS), however, the spectral resolution was limited to a few cm-1. Here we report the first demonstration of optical frequency comb photoacoustic spectroscopy (OFC-PAS), which combines the wide spectral coverage and high resolution of frequency combs with the small sample volume of photoacoustic detection [5].

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