2024-03-29T15:21:23Z
https://zenodo.org/oai2d
oai:zenodo.org:17728
2020-01-20T16:24:17Z
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Brown, Linda R.
2006-06-28
Knowledge of methane spectroscopy is crucial for the interpretation of atmospheric observations, including those of the outer planets. An overview will be given of recent results from high resolution laboratory studies of CH 4 and CH 3 D in the 1.6 to 200 micron spectral region. Line intensities and line shape parameters will be emphasized, and methane parameters available from websites and public databases will be discussed.
Finally, future needs for laboratory studies will be summarized.
The research at the Jet Propulsion Laboratory (JPL), California Institute of Technology, was performed under contract with National Aeronautics and Space Administration.
https://doi.org/10.5281/zenodo.17728
oai:zenodo.org:17728
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Infrared Laboratory Spectroscopy of CH4 and CH3D for Atmospheric Studies
info:eu-repo/semantics/lecture
oai:zenodo.org:17618
2020-01-20T16:31:21Z
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user-hitran9
Perrin, A
Flaud, J.-M.
Orphal, J.
Mencaraglia, F.
Bianchini, G.
Boscaleri, A.
Carli, B.
Ceccherini, S.
Raspollini, P.
Brizzi, G.
Carlotti, M.
Ridolfi, M.
2006-06-28
In this paper, we will make a review of the status of the HNO 3 line parameters.
Using new and accurate experimental results concerning the spectroscopic properties of the HNO 3 molecule in term of line positions, line intensities and line air-broadening parameters as well as improved theoretical methods it has been possible to generate an improved set of line parameters for this molecule both in the broadband spectral region covered by the MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) instrument operating on EnviSAT and in the far infrared spectral region.
The validation of satellite measurements like MIPAS is aimed at identifying possible systematic errors. In order to identify those which are due to the spectroscopic pa- rameters, it is required to perform retrievals using a different instrument operating in a di’erent spectral region. Therefore HNO 3 profiles measured at 11 ?m by MIPAS were validated with the IBEX (Infrared Balloon EXperiment) measurements performed in the far infrared region. An agreement of ñ5% is obtained between the profiles achieved by these two instruments after significant upgradings of the spectroscopic databases in both spectral regions.
We will describe the updates will have been performed recently since the previous 2004 version of HITRAN. Also some spectral regions need to be improved (in terms of line positions and line intensities), and we will recommend further studies
https://doi.org/10.5281/zenodo.17618
oai:zenodo.org:17618
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Relief is on the Way: Status of the Line Positions and Intensities for Nitric Acid
info:eu-repo/semantics/lecture
oai:zenodo.org:17730
2020-01-20T16:39:05Z
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user-hitran9
Plusquellic, David
Podobedov, Vyacheslav B.
Fraser, Gerald T.
2006-06-28
The types of THz absorption studies will be discussed. These include i) measurements of the water-vapor continuum from 12 ° 55 cm ° 1 (0 : 4 ° 1 : 83 THz) using a multipass cell coupled to a FIR Fourier transform spectrometer and ii) high resolution THz laser studies of the self-broadened rotational lines of water over a temperature range from 263 ° 340 K and a pressure range from 30-1400 Pa. For the continuum studies, measurements were made at a room temperature and with water vapor and nitrogen pressures up to 2.2 kPa and 81 kPa, respectively. The eÆects of the choice of lineshape function and far-wing cut-oÆ factors on the continuum absorption will be discussed. For the high resolution THz studies, the FWHM widths of pure Lorentzian lines were found to vary between 0 : 67 ° 1 : 07 cm ° 1 atm ° 1 and depend on the J , K a and K c quantum numbers as well as temperature. The observed pressure induced shifts, ±∫ (P) ; ranged from 0 : 013 ° 0 : 046 cm ° 1 atm ° 1 . The measured linewidths exhibit the (T 0 /T) n power law dependence on temperature. The best Øt exponent n varied from 0.56 to 0.81 relative to other lines in the set. A decrease in ±∫ (T) with increasing temperature was found to vary between (2-5) £ 10 ° 3 cm ° 1 atm ° 1 over the 300 ° 340 K temperature range. New developments in instrumentation will be discussed with emphasis on coupling the high-resolution THz photomixer source to the long path White cell for proposed measurements on O 2 .
https://doi.org/10.5281/zenodo.17730
oai:zenodo.org:17730
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
THz Studies of Water Vapor
info:eu-repo/semantics/lecture
oai:zenodo.org:17725
2020-01-20T16:40:01Z
openaire
user-hitran9
J.-M. Flaud
B. Picquet-Varrault
A. Gratien
J. Orphal
J.-F. Doussin
2006-06-28
Optical measurements of atmospheric minor constituents are performed using spectrometers working in the UV-visible, infrared and microwave spectral ranges. The combined use of nadir viewing UV-visible and thermal infrared spectrometers (such as GOME2 and IASI onboard MetOP) will provide an important improvement of vertical trace gas concentration profiles. The analysis and interpretation of the corresponding atmospheric spectra require good knowledge of the molecular parameters of the species of interest as well as of the interfering species. In particular meaningful comparisons of profiles retrieved by various instruments using different spectral domains require that the spectral parameters are consistent in these spectral domains. To illustrate how this is diñcult we will discuss the problems one is facing to achieve this goal in the case of the formaldehyde molecule.
For the measurement of atmospheric formaldehyde concentrations, mid-infrared and ultraviolet absorptions are indeed both used by ground, air or satellite instruments. It is then of the utmost importance to have consistent spectral parameters in these various spectral domains. Consequently the aim of the study performed at LISA was to inter- calibrate formaldehyde spectra in the infrared and ultraviolet regions. The experiments were performed by acquiring simultaneously UV and IR spectra at room temperature and atmospheric pressure using a common optical cell. The reactor contains two multiple reìection optical systems interfaced to a Fourier transform infrared spectrometer and to an UV-visible absorption spectrometer. The results of the work will be presented allowing one to point out a much better agreement with one of the various UV absorption cross sections available in the literature. If time permits, problems encountered when comparing the spectral parameters of the ozone molecule in various spectral domains will be discussed
https://doi.org/10.5281/zenodo.17725
oai:zenodo.org:17725
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
What about the spectral parameters when performing synergistic atmospheric measurements?
info:eu-repo/semantics/lecture
oai:zenodo.org:17729
2020-01-20T16:53:10Z
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user-hitran9
Smith, Mary Ann H.
2006-06-28
Planetary scientists seek to determine the compositions, dynamics, energetics, and chemical behaviors of planetary atmospheres through measurements of atmospheric absorption or emission in a number of wavelength regions. Laboratory studies of molecular spectra are often required to properly interpret telescope and spacecraft observations, particularly for atmospheres of planets such as Mars and Venus that have compositions and temperature and pressure regimes quite di’erent from those in the Earth's atmosphere. While many of the necessary spectroscopic parameters are already available in databases such as HITRAN, updates are needed to meet the changing requirements of terrestrial planetary remote sensing missions. Key issues include (1) expanding line lists to cover near-infrared transitions, (2) adding parameters for isotopologues, (3) lower intensity cuto’s to allow more weak transitions to be listed, and (4) adding parameters for broadening and shifts by gases other than air. Specific requirements, discussed in the recent Chapman Conference on Exploring Venus as a Terrestrial Planet and at the NASA Astrobiology Science Conference, will be reviewed
https://doi.org/10.5281/zenodo.17729
oai:zenodo.org:17729
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Spectroscopic Parameter Requirements for Remote Sensing of Terrestrial Planets
info:eu-repo/semantics/lecture
oai:zenodo.org:17621
2020-01-20T16:33:11Z
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user-hitran9
Nikitin, Andrei
Boudon, Vincent
Champion, Jean-Paul
Albert, Sieghard
Bauerecker, Sigurd
Quack, Martin
Brown, L. R.
Loëte, Michel
2006-06-28
A new global analysis of methane lines in the 900-4800 cm^-1 region has been performed thanks to new experimental data for both line positions and intensities. This implies three of the 12 CH 4 polyads, namely the dyad (940-1850 cm^-1 , 2 vibrational levels, 2 sublevels), the pentad (2150-3350 cm^-1 , 5 vibrational levels, 9 sublevels) and the octad (3550-4800 cm^-1 , 8 vibrational levels, 24 sublevels) and some of the associated hot bands. New FTIR spectra of the pentad and octad regions have been recorded with a very high resolution (better than 0.001 cm^-1 instrumental bandwidth, unapodized) at 78 K using the Bruker IFS 125 HR Zrich prototype (ZP2001) spectrometer 1 . New intensity measurements were performed in the whole region at the Kitt Peak National Observatory. We also used previously recorded high-resolution Raman spectra 2. The effective Hamiltonian was expanded up to order 6 for the ground state, 6 for the dyad, 5 for the pentad and 5 for the octad. We obtain global root mean square deviations d RMS for line positions = 1.4 œ 10^-4 cm^-1 for the dyad, 6.0 œ 10^-4 cm^-1 for the pentad and 3.3 œ 10^-3 cm^-1 for the octad. This analysis represents a large improvement over the previous one 3 with d RMS = 0.041 cm^-1 for the octad system.
https://doi.org/10.5281/zenodo.17621
oai:zenodo.org:17621
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Global Frequency and Infrared Intensity Analysis of 12CH4 Lines in the 0 - 4800 cm^-1 Region
info:eu-repo/semantics/lecture
oai:zenodo.org:17574
2020-01-20T16:31:12Z
openaire
user-hitran9
Barbe, A
De Backer-Barilly, M. R.
Tyuterev, Vl. G.
Romanini, D.
Kassi, S.
Campargue, A.
2006-06-28
The fibered Distributed Feed-Back (DFB) diode laser CW-CRDS spectrometer of LSP Grenoble, has been used to record the absorption spectrum of ozone in the 6000- 6750 cm -1 region with a typical sensitivity of à min ~3x10^-10cm^-1 . Transitions as weak as 1x10^-27 cm^-1 / mol. cm^-2 (296 K) could be detected. Removing usual impurities as H2O, CO, CO2 , a total of 5578 transitions have been assigned to 15 bands (9 A type and 6 B type).
We present an overview of this work, in course, and present in detail two specific spectral ranges, where analysis are complete, that is to say 5970 - 6210 and 6640 - 6830 cm^-1 . For these regions, we give: range of assigned quantum numbers, Hamiltonian and transition moment parameters, statistics for positions and intensities and examples of agreement between observations and calculations
https://doi.org/10.5281/zenodo.17574
oai:zenodo.org:17574
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Analysis of High Resolution Infrared CW-CRDS Spectra of Ozone in the 6000 - 6750 cm -1 Spectral Region
info:eu-repo/semantics/lecture
oai:zenodo.org:17724
2020-01-20T16:28:01Z
openaire
user-hitran9
Paynter, David
Shine, Keith
Smith, Kevin
2006-06-28
The origin and magnitude of the water vapour continuum has long been a subject of controversy and uncertainty. Pure water vapour FT-IR measurements have been conducted between 3000 cm^-1 and 8000 cm^-1 at 0.03 cm^-1 resolution over a tempera- ture range of 296K-351K and a pressure range of 20 mb - 350 mb using the Molecular Spectroscopy Facility at the Rutherford Appleton Laboratory. The pure water vapour continuum is derived by calculating the di’erence between the absorption measured and that calculated for the laboratory conditions using the HITRAN 2004 database and a line-by-line model.
The deduced pure water vapour continuum shows good agreement with the MT CKD continuum between 5000 cm^-1 and 8000 cm^-1 . However, it is apparent that the MT CKD continuum overestimates the size of the continuum between 3950^-4150 cm^-1 , 5500^-5700 cm^-1 and 7400^-7600 cm^-1 at the far edge of each absorption band. This overestimate is also apparent in the Ma and Tipping continuum suggesting that the contribution from far wings absorption could be overestimated by these continuum models.
Features are detected in the continuum around 3200 cm^-1 , 3600 cm^-1 and 3700 cm^-1 that are not predicted by the MT CKD continuum, but are consistent with theoretically predicted water dimer features of Schofield et al. (2003) 1 . However, the derived dimer line strengths could be smaller than those predicted. The temperature dependence of the dimer is seen to be in excellent agreement with the theoretical predictions of Vigasin (2000) (2) .
https://doi.org/10.5281/zenodo.17724
oai:zenodo.org:17724
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
New Measurements of the Water Vapour Continuum
info:eu-repo/semantics/lecture
oai:zenodo.org:17726
2020-01-20T16:27:07Z
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user-hitran9
Chris D. Boone
Peter F. Bernath
2006-06-28
The Atmospheric Chemistry Experiment (ACE) is a satellite mission for remote sensing of the Earth's atmosphere, launched August 2003. The primary instrument on board is a high resolution (ñ25 cm maximum optical path di’erence) Fourier transform spectrometer operating in the infrared (750-4400 cm-1 ). Forward model calculations employ the HITRAN 2004 linelist. Observations from the mission will be used to illus- trate improvements relative to previous versions of the linelist. A wish list for future linelist development will be presented, including molecules that seem to require im- provements and molecules of atmospheric interest that we believe should be added to the linelist.
https://doi.org/10.5281/zenodo.17726
oai:zenodo.org:17726
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Linelist Needs for the Atmospheric Chemistry Experiment
info:eu-repo/semantics/lecture
oai:zenodo.org:17734
2020-01-20T16:25:34Z
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user-hitran9
Massie, S.
Goldman, A.
2006-06-28
A brief review is presented of the indices of refraction and cross sections that are on the HITRAN 2004 compilation. New measurements of therefractive indices of ternary (H2O/H2SO4/HNO3) droplets by Myhre [2003,2005] and the indices of supercooled water by Wagner [2005] are presented and compared toprevious data. New infrared cross sections of species of atmospheric interest (e.g., the measurements of HFC-125 and HFC-143a of Lonardo and Masciarelli [2000]) are also discussed.
We finally propose to link to the “other listings” portion of the HITRAN web site several established reflectance data bases, since many current and futureremote sensing experiments are influenced by groundemission and reflectance contributions.
https://doi.org/10.5281/zenodo.17734
oai:zenodo.org:17734
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
New cross sections, indices of refraction, and reflectance spectra of atmospheric interest
info:eu-repo/semantics/lecture
oai:zenodo.org:17745
2020-01-20T16:53:10Z
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user-hitran9
Jacquemart, D.
Lacome, N.
Kwabia-Tchana, F.
Kleiner, I.
2006-06-28
Methyl bromine is of interest for atmospheric applications, since this molecule is directly involved in the catalytic destruction of ozone in the lower stratosphere. At the present time no spectroscopic data is available in the atmospheric databases as HITRAN or GEISA.
Using FT spectra (Bruker IFS 120, unapodized FWHM resolution of 0.001 cm ^-1 ) of methyl bromide CH 3 Br, absolute line positions and intensities, as well as self-and N 2 - broadening coe±cients have been measured for about 1200 lines between 880 and 1050 cm ^-1 in the v6 band of ^12CH3 ^79Br and 12^CH3 81^Br. These measurements improve the accuracy on wavenumbers and line intensities previously obtained and lead to a complete set of self- and N 2 -broadening coe±cients for which clear J -and K -dependences have been observed for the first time. A multispectrum fitting procedure has been used to retrieve simultaneously the line parameters from 6 experimental spectra recorded at different pressures of CH 3 Br and N 2 . A wavenumber calibration has been performed using the line frequencies of the v2 band of NH 3 . Average absolute accuracies of the measurements have been estimated around 0.0005 cm ^-1 for line positions, 5% for line intensities, and 5-10% for broadening coe±cients. A theoretical treatment of wavenumbers permitted the prediction of assignments and wavenumbers for the whole 10- π m spectral region. Line intensities have been analyzed to deduce the eÆective vibrational transition moment squared as well as Herman-Wallis coe±cients. Self-and N 2 -broadening coe±cients have been reduced using an empirical polynomial expansion function of J and K .
A complete line list containing line positions, intensities, self- and N 2 -broadening coe±cients has then been generated for atmospheric purposes with all lines from 820 to 1120 cm ^-1 having intensities greater than 10 ^-5 cm ^-2 ¢ atm ^-1 .
https://doi.org/10.5281/zenodo.17745
oai:zenodo.org:17745
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
A Complete Set of Line Parameters for CH3Br inthe 10-πm Spectral Region
info:eu-repo/semantics/lecture
oai:zenodo.org:17748
2020-01-20T17:14:10Z
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user-hitran9
Drouin, Brian J.
Gamache, Robert R.
2006-06-28
<p>The submillimeter frequency coverage of the EOS-MLS aboard the Aura spacecraft has necessitated the measurement of a larger data set of air-broadened ozone linewidths at these wavelengths. An automated submillimeter spectrometer that utilizes directly synthesized radiation, programmable mass-flow controllers and a temperature controlled cell was implemented for expedient data collection of 17 diÆerent rotational transitions in the 620 - 660 GHz range. Many previous ozone rotational line-broadening studies have focused on single transitions, typically in the millimeter wavelengths, with the notable exception of a broadband FT-FIR study that characterized the J,Kc dependencies of many higher quanta states. The current measurements lie in a middle range of the pre- vious measurements and allow a more comprehensive picture of the J,Kc dependencies of linewidths over the entire ozone rotational band </p>
https://doi.org/10.5281/zenodo.17748
oai:zenodo.org:17748
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HITRAN, The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Air-broadened Ozone Linewidths in the Submillimeter Wavelengths
info:eu-repo/semantics/lecture
oai:zenodo.org:17552
2020-01-20T13:02:43Z
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user-hitran9
Rothman, Laurence S.
2006-06-28
<p>Recent satellite remote-sensing experiments are making unprecedented demands on\nthe spectroscopic databases. The reasons arise from numerous factors, for example high\nsignal-to-noise, broad spectral coverage, long path lengths, and improved retrieval algo-\nrithms. The progress of the experiments was highlighted in the workshop, Atmospheric\nScience from Space using Fourier Transform Spectrometry, held last year in Canada (1).\nAmong the requirements anticipated by current and future space missions is the need to obtain a global consistency of spectral parameters. For adequate retrievals of the atmospheric state, line intensities will be required to be good to the one-percent level for di’erent bands, within the band, and between di’erent isotopologues. The same is true for the collision-broadened half-widths.\nWe present some examples of the quest for consistency and the e’orts for validation of the HITRAN database archive. \nThe current effort has been supported by the NASA Earth Observing System (EOS),\nunder grant NAG5-13534.</p>
https://doi.org/10.5281/zenodo.17552
oai:zenodo.org:17552
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
The Quest for Consistency and Accuracy of Spectroscopic Parameters in HITRAN: Bridge between Archive and Application
info:eu-repo/semantics/lecture
oai:zenodo.org:17554
2020-01-20T16:29:45Z
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user-hitran9
Wagner, Georg
Birk, Manfred
2006-06-28
<p>Numerous papers on pressure broadening of water have been published, however, with differences exceeding stated uncertainties. The present work attempts to initiate a process towards better defined uncertainties. Self- and airbroadened water vapour spectra were recorded with a Bruker IFS120HR in the range from 1250 to 1750 cm -1. 45 measurements covered the temperature range 208 - 316 K, air pressures from 0 - 1000 mbar, sample pressures 0.0004 - 5 mbar, and absorption paths 0.16 - 84 m. To allow for quality assurance, care was taken to cover most lines by several measurements with different opacity and linewidth. Furthermore, the data cover five orders of magnitude in intensity. Transmittance spectra were corrected for detector non-linearity and channeling. Line-by-line analysis was done on a microwindow basis resulting in positions, linestrengths and linewidths using the Voigt function as monochromatic lineshape. In the line fitting, especially of the 50 mbar measurements, the residual spectra show systematic deviations due to Dicke narrowing which are mostly smaller than 1%. The further data reduction was done with a new software tool which reads the broadening data and fits air and self pressure broadening parameter and temperature exponent. The software compiles the experimental data for each transition and selects the parameters to be fitted. The software also allows for various data quality assessments which are presented in this talk. This quality assessment revealed that 50 mbar measurements had to be excluded from the data analysis due to the Voigt profile being not capable of yielding pressure- and opacity-independent broadening parameters for these measurements. An important quality assessment is the intercomparison with hot cell measurementswhich were obtained a few years ago using a different cell, beamsplitter, detector, higher air pressure (500, 1000 mbar) and a different flow setup. The line broadening agreed within 1% on average. Finally, the differences of measured and calculated spectra were investigated showing almost pure instrumental noise and thus indicating that the data reduction is not introducing systematic errors. In total the number of air broadening parameters is 985 (?2: 44% H2O, 17% H182O, 10% H172O, 12% HDO, 2 ?2 - ?2 H2O: 17%) and of temperature exponents is 672. The resulting data show that in contrast to ozone the pressure broadening cannot be expressed in polynomials in the quantum numbers. Intercomparison with HITRAN 2004 and other authors, especially Toth, will be discussed.</p>
Session 1 presentation
https://doi.org/10.5281/zenodo.17554
oai:zenodo.org:17554
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Water Pressure Broadening: A Never-ending Story
info:eu-repo/semantics/lecture
oai:zenodo.org:17623
2020-01-20T16:30:30Z
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Ma, Q.
Tipping, R. H.
Boulet, C.
2006-06-28
We have made two modifications of the Robert-Bonamy (RB) formalism that has been widely used for calculating Lorentzian spectral line half-widths and shifts for decades. The first one comes from a correction of their derivation where they as- sumed the cumulant expansion can be used to evaluate the Liouville matrix element <<j2i2|S|j2i2 >> . At first sight, their assumption appears to be correct because this matrix element is diagonal in the Liouville space and as a result, it looks like that a basic requirement in applying the cumulant expansion is satisfied. However, by decomposing it into two Hilbert matrix elements associated with S I and S F (?=S IúS*F ) respectively, we have found neither of these is diagonal in Hilbert space. Therefore, their assumption is not valid and their expressions for the half-widths and shifts are incorrect. We have found by choosing an average over the internal degrees of the bath molecule as the aver- age in the cumulant expansion, one is able to apply this expansion properly and obtain the correct expressions. Numerical calculations show new half-width and shift values differ from previous ones, and the stronger the interaction between two molecules is, the larger these differences are. The second correction is the expression for S 1 (i.e., the first term in the expansion of the S matrix) that is essential in calculating vibration-rotation pressure-broadened shifts that is not correctly given in the RB formalism. In this case, the problem resulted when they considered effects of the vibrational dephasing on S 1; they made the incorrect assumption that the trajectories of interest are vibrationally independent. As a result, the current expression is not applicable in calculating shifts for molecular lines involving vibrational transitions. Based on a vibration-dependent trajectory model, which is physically sound, we derive the correct expression for S 1 . In comparison with the original expression, the new formula contains extra terms which represent the contributions from vibration- dependent trajectories. We find for some molecular systems of interest, calculated shifts based on the new formula differ signif- icantly from those calculated using the existing formalism. Beside these corrections, we point out that there are several other assumptions introduced in the RB formalism. Some lack theoretical justifications and others may limit the accuracy of the results. One must address these problems in order to make further refinements of the RB formalism.
https://doi.org/10.5281/zenodo.17623
oai:zenodo.org:17623
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Modifications of the Robert-Bonamy Formalism and Further
Refinement Challenges
info:eu-repo/semantics/lecture
oai:zenodo.org:17620
2020-01-20T16:30:03Z
openaire
user-hitran9
Coudert, L. H.
Wagner, G.
Birk, M.
Flaud, J.-M.
2006-06-28
With a view towards building a highly accurate database for the water molecule in the 1000 to 2000 cm -1 region, line position and line intensity analyses of a large body of high-resolution data were carried out. For both analyses, the bending-rotation theoretical approach 1 was used. The body of data fitted in the line position analysis consists of experimental energies as well as microwave, FIR, and IR transitions. In the line strength analysis, experimental line intensities were fitted. For both analyses, the data involve the first eight vibrational states of water, that is, all the vibrational states up to the second triad.
In the first part of the paper, the results of the line position analysis will be reported and the inclusion in the data set of the recent microwave measurements of Matsushima et al. 2 will be discussed. The second part of the paper we will devoted to the line strength analysis. The results obtained fitting the new measurements of Toth 3 , concern- ing transitions involving one the states of the second triad, will be reported.
Although the results of both the line position and the line intensity analyses are satisfactory, they indicate that there are inconsistencies within and between the various sets of of data. This is certainly the case of the line intensity data for transitions belonging to the ? 2 band, which is the band for which there is the largest amount of data. For this band the measurements reported by Toth 4 are available as well as the recent ones carried out at DLR. Depending on the set of data being considered, the observed minus calculated residuals, in % of the observed strength, do not display the same behavior when the strength increases from 10 -25 to 10 -19 cm -1/molecule ú cm -2 . This behavior will be given for the line strengths reported by Toth 4 and for those measured in the present work. Issues addressing the data quality and reasons for the di’erences of the data sets will be discussed.
https://doi.org/10.5281/zenodo.17620
oai:zenodo.org:17620
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
The Water Molecule: Line Position and Line Intensity Analyses up to the Second Triad
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oai:zenodo.org:17622
2020-01-20T16:20:57Z
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R. R. Gamache,
B. K. Antony
P. R. Gamache
M. Birk
G. Wagner
2006-06-28
Calculations of N 2 -, O 2- broadened half-widths, ?, of water vapor transitions in the 3.2 to 17.76 ?m spectral region were made at 225 and 296 K with the mean relative thermal velocity approximation of the complex Robert-Bonamy (CRB) formalism. Five thousand four hundred and forty two transitions belonging to 11 vibrational bands were studied. From these data air-broadened half-widths were determined at the two temperatures and the temperature dependence of the half-width was evaluated using the standard formula
(See PDF for formula)
For a limited number of transitions CRB calculations doing the velocity integral were made at 7 temperatures in the range 200-980 K. The mechanisms in the broadening process are discussed and the effects on ? and on the temperature dependence of the half-width as a function of the quantum states of the transitions are shown. Where possible this work is compared with measurement. It is shown that the standard temperature dependence model for the half-width is not correct for a number of transitions.
https://doi.org/10.5281/zenodo.17622
oai:zenodo.org:17622
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Temperature dependence of N2-, O2-, and air-broadened half-widths of water vapor transitions: insight from theory and comparison with measurement
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oai:zenodo.org:17746
2020-01-20T16:53:38Z
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user-hitran9
Jiang, Xingjie
Fisher, J.M.
Xu, Li-Hong
McKellar, A.R.W.
2006-06-28
Acrolein (CH 2 CHCHO) is one of the four (in addition to methanol CH 3 OH, Ac- etaldehyde CH 3 CHO, and 1,3-butadiene CH 2 CHCHCH 2 ) 2004 target molecules from main- and side-stream (MS and SS) cigarette smoke 1 . The present work is aimed at extending the database of high resolution laboratory spectroscopic information on the molecule in the 10 μm region.
We have obtained 10 μm high resolution spectra from NRC both at room and cooled temperatures at 0.002 cm ^-1 resolution. The spectra cover several vibrational bands including the two dominant ones, the ν16 CH 2 out-of-plane rocking and ν14 CH2 twisting. Analyses of the ν16 and ν14 bands are now at advanced stages. More specifically, about 1085 lines have been assigned to the ν16 band for transitions to upper state K 0 a = 0, 1, 2, 3, 4, 5, 6, 7, 8, 9 and 10, and about 800 lines have assigned to the ν14 band for transitions to upper state K 0 a = 1, 2, 3, 4, 5, 6, 7 and 8. We have applied an isolated band model to each band using Maki's asymmetric rotor Hamiltonian in which some assigned transitions were removed from our fits. In our analysis, we have encountered challenges due to high line density as well as perturbations. For the latter, J reduced upper state term values have been obtained and plotted as a function of J, indicating possible interactions among the two states.
For intensity information, we have carried out ab initio dipole derivative calculations using the procedure explained in Ref. [2] 2 for 1,3-butadiene. A line list with position and intensity has been compiled using this ab initio dipole derivative and the rotational constants obtained from the present work
https://doi.org/10.5281/zenodo.17746
oai:zenodo.org:17746
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
10 μm High-Resolution Spectra of Acrolein (trans-form)
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oai:zenodo.org:17732
2020-01-20T17:01:30Z
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user-hitran9
Jacquinet-Husson, N.
Scott, N.A.
Chédin, A.
Armante, R.
2006-06-28
The GEISA (Gestion et Etude des Informations Spectroscopiques Atmosph∂eriques; Management and Study of Atmospheric Spectroscopic Information database) has been updated in 2003/2004.
The performances of new atmospheric sounders like AIRS (Advanced InfraRed Sounder), in the USA, and IASI (Infrared Atmospheric Sounder Interferometer) in Europe , which have a better vertical resolution and accuracy, compared to the presently existing satellite infrared vertical sounders, is directly related to the quality of the spectroscopic parameters of the optically active gases. For these instruments, the so-called GEISA /IASI spectroscopic sub-database has been elaborated from the general GEISA spectroscopic database system, with a continuous update from new spectroscopic parameters, when available. The specific purpose of this effort is to assess the capability of measurement by the IASI instrument, within the designated goals of ISSWG (IASI Sounding Science Working Group), in the frame of the CNES (Centre National d'Etudes Spatiales, France) /EUMETSAT (EUropean organization for the exploitation of METeorological SATellites) European Polar System (EPS) preparation. The assessment will be done by simulating either high-resolution radiance spectra or experimental data, or both, as the situation demands.
The purpose of this presentation is to show some selected results of critical com- parisons, in terms of spectroscopic line parameter archives (i.e.: HITRAN or MIPAS databases). All the archived spectroscopic data of GEISA and GEISA/IASI can be handled through a user-friendly associated management software, which is posted on the ARA/LMD group web site at: http://ara.lmd.polytechnique.fr
https://doi.org/10.5281/zenodo.17732
oai:zenodo.org:17732
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Assessment of the GEISA and GEISA/IASI Spectroscopic Data Quality: through comparisons with other public database archives
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oai:zenodo.org:17731
2020-01-20T16:39:35Z
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user-hitran9
Daumont, Ludovic
Jenouvrier, A.
Carleer, M.
Fally, S.
Vandaele, A. C.
Hermans, C.
2006-06-28
Laboratory absorption spectra of H2O-D2O mixtures have been recorded in the spectral region 8800-1500 cm-1 by Fourier transform spectroscopy at high resolution (0.03 cm-1 ). The 50 m base long cell from Reims was used to record spectra with total pressure £ absorption path products of about 6000 torr m. In the continuation of our previous work concerning water vapor 1 ; 2 ; 3 ; 4 ; 5 ; 6 ; 7 ; 8 ; 9 ; 10 , the present study deals with the Deuterium enriched spectra. Two spectra with diÆerent mixing ratios for H 2 O, HDO and D 2 O species were recorded. The identiØcation of the HDO and D 2 O lines has been made by comparison of ratios between pure and enriched spectra. Partial pressures were carefully determined using (i) H2 ^16O previously determined line intensities, (ii) HDO and D 2 O line intensity ratios, and (iii) total pressures. The lines identiØcation was checked through the evolution of the integrated absorption coe±cients with the partial pressures. The observed lines have been Øtted to Voigt line proØles from which line positions (cali- brated afterwards), integrated absorption cross-sections and self-broadening coe±cients have been determined. For the two deuterated species the integrated absorption cross sections could be measured down to 5 10-27 cm/molecule. Comparisons with the most recent experimental data and calculations are presented.
https://doi.org/10.5281/zenodo.17731
oai:zenodo.org:17731
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
HDO and D2O long path spectroscopy: Ongoing work of the Brussels-Reims
Team
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oai:zenodo.org:17733
2020-01-20T16:52:35Z
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user-hitran9
Tennyson, Jonathan
2006-06-28
Water is molecule number 1 in the HITRAN linelist and the correct treatment of its spectroscopic properties is crucial to the enduring success the database. Recently a task group entitled \A database of water transitions from experiment and theory" has been formed under the auspices of IUPAC to address issues related to the spectroscopy of water not just at cool, atmospheric temperatures, but also at the high temperatures required by many other terrestrial and astronomic applications.
Constructing a reliable, all-temperature database for water is a challenging task. To this end the task group has identified the following sub-topics that need to be addressed: spectra of water at 300 K, database structure, spectra of hot water, line profiles, theory and computation of water spectra, and validation. Progress in this activity will be presented at the meeting
https://doi.org/10.5281/zenodo.17733
oai:zenodo.org:17733
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
A database for water transitions from experiment and theory
info:eu-repo/semantics/lecture
oai:zenodo.org:10162
2020-01-20T15:11:50Z
openaire
user-hitran9
Rothman, Laurence S.
2006-06-26
<p>Recent satellite remote-sensing experiments are making unprecedented demands on the spectroscopic databases. The reasons arise from numerous factors, for example high signal-to-noise, broad spectral coverage, long path lengths, and improved retrieval algorithms. The progress of the experiments was highlighted in the workshop, Atmospheric Science from Space using Fourier Transform Spectrometry, held last year in Canada (1). Among the requirements anticipated by current and future space missions is the need to obtain a global consistency of spectral parameters. For adequate retrievals of the atmospheric state, line intensities will be required to be good to the one-percent level for different bands, within the band, and between different isotopologues. The same is true for the collision-broadened half-widths.</p>
<p>We present some examples of the quest for consistency and the efforts for validation of the HITRAN database archive.</p>
<p>The current effort has been supported by the NASA Earth Observing System (EOS), under grant NAG5-13534.</p>
1 - Proceedings of the 12th Workshop Atmospheric Science from Space using Fourier Transform Spectrometry (ASSFTS), Quebec City, Canada, 18-20 May 2005.
https://doi.org/10.5281/zenodo.10162
oai:zenodo.org:10162
Zenodo
http://bernath.uwaterloo.ca/ASSFTS/
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HITRAN IX, 9th Biennial HITRAN Database Conference, Cambridge, Massachussetts, 26-28 June 2006
The Quest for Consistency and Accuracy of Spectroscopic Parameters in HITRAN: Bridge between Archive and Application
info:eu-repo/semantics/lecture
oai:zenodo.org:17747
2020-01-20T16:24:03Z
openaire
user-hitran9
Müller, Holger S. P.
2006-06-28
The internet browser-accessible Cologne Database for Molecular Spectroscopy, CDMS, 1 ; 2 contains as one main part a catalog of rotational transition frequencies of molecular species that have been or may be identified in the interstellar medium, circumstellar envelopes, or planetary atmospheres. Rovibrational transitions in the far- and mid- infrared regions are currently available to a limited extent, but their importance will likely increase. Separate entries are provided for minor isotopic species or for molecules in excited vibrational states as far as appropriate. The entries have been created by fitting critically evaluated experimental data, mostly from laboratory experiments, to suitable Hamiltonian models to ensure entries as reliable as possible. Particular emphasis has been put on supplying data in the (sub-) millimeter and terahertz regions for telescopes such as APEX and the SMA as well as for the upcoming Herschel mission and ALMA.
The catalog is updated continuously. As of January 2006, the catalog contains more than 350 species of astrophysical, astrochemical, and planetary interest. It is available online free of charge through a link on the KOSMA web-site http://www.ph1.uni- koeln.de/ or via the short-cut http://www.cdms.de/.
Transitions of molecules vibrationally or highly rotationally excited are particularly strong toward high-mass star-forming regions where also complex molecules are sought. Further rotational and rovibrational spectroscopic data are needed in order to charac- terize these states.
The CDMS also includes a web page listing molecules detected in astronomical sources, a help page for fitting rotationally resolved spectra, as well as information on recent changes in the database.
https://doi.org/10.5281/zenodo.17747
oai:zenodo.org:17747
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Recent Developments in the Cologne Database for Molecular Spectroscopy, CDMS, and the Need for Further Laboratory Spectroscopy
info:eu-repo/semantics/lecture
oai:zenodo.org:17727
2020-01-20T16:39:37Z
openaire
user-hitran9
Sen, Bhaswar
Brown, Linda R.
Miller, Charles. E.
Toon, Geoffrey C.
Toth, Robert A.
Rebecca A. Washenfelder
Paul O. Wennberg
2006-06-28
We evaluated the improvements in successive versions (1996 - 2004) of HITRAN (1) and other molecular line parameter data set (2) to correctly simulate infrared (IR) and near-infrared (NIR) CO 2 transmittance spectra. Understanding the global sources and sinks of CO 2 requires highly accurate measurements (ó 0.3%) and makes extreme de- mands on the spectroscopy. We evaluated the line parameter data sets by fitting solar absorption spectra measured by the JPL MkIV FTIR spectrometer (3) and the Caltech FT spectrometer (4). The JPL spectra cover the entire 650 - 5650 cm-1 spectral region simultaneously and were measured during recent balloon ìights under conditions that were closely monitored by in situ sensors(5). The Caltech spectra, measured during sum- mer 2004 from Park Falls, WI, cover the entire 4,000 - 11,000 cm-1 spectral region simultaneously. The measurements were made under conditions that were also closely monitored by in situ sensors (continuous CO 2 monitors, weekly ìask sampling and air- craft profiles).(6)
This work benefits the HITRAN user community by documenting and highlighting inadequacies in the data set and quantifying their likely e’ect on retrieved CO 2 col- umn. The consistency between retrieved column-averaged mole fraction of CO 2 ( XCO 2 ) and measured surface CO 2 is an important demonstration of the adequacy of the spec- troscopy. The work provides an objective basis for assessing the adequacy and self- consistency of the existing HITRAN data set and for quantifying the improvements (or otherwise) produced by new CO 2 line parameters. It also helps to prioritize needs for additional laboratory studies.(7)
https://doi.org/10.5281/zenodo.17727
oai:zenodo.org:17727
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https://doi.org/
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
CO2 Spectroscopy Evaluation Using Atmospheric Solar Absorption Spectra
info:eu-repo/semantics/lecture
oai:zenodo.org:17553
2020-01-20T16:34:35Z
openaire
user-hitran9
Orphal, Johannes
Chelin, Pascale
Flaud, Pierre-Marie
Ibrahim, Nofal
2006-06-28
<p>The advantages of using external cavity diode-lasers (ECDL) for quantitative spectroscopy in the laboratory are in particular the absence of any significant instrumental line shape (ECDL have typical emission line widths of 1 MHz i.e. a few 0.00001 cm-1), the fast temporal response and the high signal-to-noise ratio that can be achieved in rather short experiments. We have used near-infrared ECDL to study line widths and intensities of H2O around 820 nm and of NH3 around 1.5ãm. The results are compared with HITRAN and with previous experimental studies. For NH3 we have also recorded new near-infrared absorption spectra using a Bruker IFS 120 HR Fourier transform spectrometer, to investigate significant discrepancies concerning the line positions and intensities from the available literature. Recently we have constructed a compact difference frequency (DFG) laser that is operating in the mid-infrared region between 1900 ? 3100 cm-1 by mixing a tuneable ECDL (820 ? 880 nm range) with a cw Nd:YAG laser (1064 nm) using a Periodically Poled Lithium Niobate ? PPLN ? crystal as non-linear medium. This DFG laser (also 1 MHz linewidth) was used to study line positions and intensities of NO2 in the 3.5ãm region and in particular to compare the line intensities with the absorption cross-sections of NO2 in the 400 nm region that are known to within better than 2%. Again the results are compared with the HITRAN database. We are now moving towards using ECDL for studying unstable species and radicals.</p>
Session 1 presentation
https://doi.org/10.5281/zenodo.17553
oai:zenodo.org:17553
Zenodo
https://zenodo.org/communities/hitran9
https://doi.org/
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The 9th HITRAN Database Conference, Harvard-Smithsonian Center for Astrophysics, 26-28 June 2006
Astronomical spectroscopy
HITRAN
Diode- and Difference-Frequency Laser Studies of Atmospheric Molecules in the Near- and Mid-infrared: H2O, NO2, and NH3
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