The 2015 edition of the GEISA spectroscopic database

The updated 2009 edition of the spectroscopic database GEISA (Gestion et Etude des Informations Spectroscopiques Atmospheriques; Management and Study of Atmospheric Spectroscopic Information) is described in this paper. GEISA is a computer-accessible system comprising three independent sub-databases devoted, respectively, to: line parameters, infrared and ultraviolet/visible absorption cross-sections, microphysical and optical properties of atmospheric aerosols. In this edition, 50 molecules are involved in the line parameters sub-database, including 111 isotopologues, for a total of 3,807,997 entries, in the spectral range from 10−6 to 35,877.031 cm−1. The successful performances of the new generation of hyperspectral sounders depend ultimately on the accuracy to which the spectroscopic parameters of the optically active atmospheric gases are known, since they constitute an essential input to the forward radiative transfer models that are used to interpret their observations. Currently, GEISA is involved in activities related to the assessment of the capabilities of IASI (Infrared Atmospheric Sounding Interferometer; http://smsc.cnes.fr/IASI/index.htm) on board the METOP European satellite through the GEISA/IASI database derived from GEISA. Since the Metop-A (http://www.eumetsat.int) launch (19 October 2006), GEISA is the reference spectroscopic database for the validation of the level-1 IASI data. Also, GEISA is involved in planetary research, i.e., modeling of Titan's atmosphere, in the comparison with observations performed by Voyager, or by ground-based telescopes, and by the instruments on board the Cassini–Huygens mission. GEISA, continuously developed and maintained at LMD (Laboratoire de Meteorologie Dynamique, France) since 1976, is implemented on the IPSL/CNRS (France) “Ether” Products and Services Centre WEB site (http://ether.ipsl.jussieu.fr), where all archived spectroscopic data can be handled through general and user friendly associated management software facilities. More than 350 researchers are registered for on line use of GEISA.

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The 2009 edition of the GEISA spectroscopic database

This is the third of a series of articles reporting critically evaluated rotational–vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational–vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational–Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O containstwo components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved.

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IUPAC critical evaluation of the rotational-vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O

We present a high-resolution, high-temperature version of the Carbon Dioxide Spectroscopic Databank called CDSD-4000. The databank contains the line parameters (positions, intensities, air- and self-broadened half-widths, coefficients of temperature dependence of air- and self-broadened half-widths, and air-broadened pressure shifts) of the four most abundant isotopologues of CO 2 . A reference temperature is 296 K and an intensity cutoff is 10 −27  cm −1 /molecule cm −2 at 4000 K. The databank has 628,324,454 entries, covers the 226–8310 cm −1 spectral range and designed for the temperature range 2500–5000 K. Format of CDSD-4000 is similar to that of HITRAN-2008. The databank has been generated within the framework of the method of effective operators and based on the global fittings of spectroscopic parameters (parameters of the effective Hamiltonians and effective dipole moment operators) to observed data collected from the literature. The databank is useful for studying high-temperature radiative properties of CO 2 , including exoplanets atmospheres, aerothemal modeling for Mars entry missions, high-temperature laboratory spectra, and industrial applications. CDSD-4000 is freely accessible via the Internet site ftp://ftp.iao.ru/pub/CDSD-4000 .

CDSD-4000: High-resolution, high-temperature carbon dioxide spectroscopic databank

This is the first part of a series of articles reporting critically evaluated rotational– vibrational line positions, transition intensities, pressure dependence and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. The present article contains energy levels and data for line positions of the singly substituted isotopologues H2

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IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers

The absorption spectrum of water vapor enriched by deuterium and oxygen-18 is analyzed in the 6000–9200 cm−1 region. The spectrum has been recorded at room temperature with a Bruker IFS 120 h Fourier transform spectrometer. More than 14,000 absorption lines were measured in the recorded spectrum. The vibration–rotation assignments were performed on the basis of previously published experimental energies and of variational calculations. Nine water species (H216O, HD16O, D216O, H218O, HD18O, D218O, H217O, HD17O and D217O) were found to contribute to the observed absorption. More than 3600 lines of 19 vibrational bands of D218O and about 4700 lines of 16 bands of HD18O with J as high as 19 and Ka as high as 11 were assigned. The main part of the HD18O and D218O lines and all lines of HD17O and D217O were observed in the laboratory for the first time. The obtained vibration–rotation energy levels are compared with previous experimental studies and the results of variational calculations.

Absorption spectrum of deuterated water vapor enriched by 18 O between 6000 and 9200 cm 1

High-resolution Fourier-transform spectroscopy of 18O-enriched water molecule in the 1080–7800 cm−1 region

Fourier transform spectroscopy of 12C18O2 and 16O12C18O in the 3800-8500 cm-1 region and the global modeling of the absorption spectrum of 12C18O2

000) and (010) energy levels of the HD18O and molecules from analysis of their ν2 bands

In a previous contribution [Kassi S, Song KF, Campargue A. High sensitivity CW-cavity ring down spectroscopy of 12 CO 2 near 1.35 μm (I): line positions. JQSRT 110 (2009) 1801–1814], the line positions analysis of the high sensitivity absorption spectrum of carbon dioxide has been reported in the 7123–7793 cm −1 region. In this second contribution, the spectral region investigated by CW -cavity ring down spectroscopy has been extended up to 7917 cm −1 . It added about 400 lines to our previous list of about 2500 transitions. These additional lines include transitions belonging to six newly observed 12 C 16 O 2 bands for which we provide the spectroscopic parameters. Over the whole 7123–7917 cm −1 region, the accurate intensities of about 2900 lines belonging to four isotopologues ( 12 C 16 O 2 , 13 C 16 O 2 , 16 O 12 C 18 O and 16 O 12 C 17 O) were retrieved with an average accuracy of 3%. Intensity values range between 1.2×10 −29 and 4.1×10 −25  cm/mol. Compared to the present version of the carbon dioxide spectroscopic databank recently adopted for the HITRAN database, important deviations were evidenced for some weak bands of the main isotopologue. The CW -CRDS intensity data relative to a total of 46 12 C 16 O 2 bands together with selected intensity information available in the literature for nine bands have been fitted simultaneously using the effective operators approach. The Δ P =11 set of the 12 C 16 O 2 effective dipole moment parameters has been refined leading to a much better agreement with the measured intensity values. In addition, the Δ P =10 effective dipole moment parameters of the 16 O 12 C 18 O minor isotopologue were determined for the first time. The obtained results will help to improve the carbon dioxide spectroscopic databank (CDSD).

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K.-F. Song

Papers

Absorption spectrum of deuterated water vapor enriched by 18 O between 6000 and 9200 cm 1

High-resolution Fourier-transform spectroscopy of 18O-enriched water molecule in the 1080–7800 cm−1 region

Fourier transform spectroscopy of 12C18O2 and 16O12C18O in the 3800-8500 cm-1 region and the global modeling of the absorption spectrum of 12C18O2

000) and (010) energy levels of the HD18O and molecules from analysis of their ν2 bands

High sensitivity CW-cavity ring down spectroscopy of 12CO2 near 1.35 μm (II): New observations and line intensities modeling