Spectroscopic database of CO2 line parameters: 4300–7000 cm−1

Abstract A new spectroscopic database for carbon dioxide in the near infrared is presented to support remote sensing of the terrestrial planets (Mars, Venus and the Earth). The compilation contains over 28,500 transitions of 210 bands from 4300 to 7000 cm−1 and involves nine isotopologues: 16O12C16O (626), 16O13C16O (636), 16O12C18O (628), 16O12C17O (627), 16O13C18O (638), 16O13C17O (637), 18O12C18O (828), 17O12C18O (728) and 18O13C18O (838). Calculated line positions, line intensities, Lorentz half-width and pressure-induced shift coefficients for self- and air-broadening are taken from our recent measurements and are presented for the Voigt molecular line shape. The database includes line intensities for 108 bands measured using the McMath–Pierce Fourier transform spectrometer located on Kitt Peak, Arizona. The available broadening parameters (half-widths and pressure-induced shifts) of 16O12C16O are applied to all isotopologues. Broadening coefficients are computed using empirical expressions that have been fitted to the experimental data. There are limited data for the temperature dependence of widths and so no improvement has been made for those parameters. The line intensities included in the catalog vary from 4×10−30 to 1.29×10−21 cm−1/(molecule cm−2) at 296 K. The total integrated intensity for this spectral interval is 5.9559×10−20 cm−1/(molecule cm−2) at 296 K.

[1]  Michael Buchwitz,et al.  First direct observation of the atmospheric CO 2 year-to-year increase from space , 2007 .

[2]  Josef Humlíček,et al.  Optimized computation of the voigt and complex probability functions , 1982 .

[3]  S. Tashkun,et al.  Global modeling of 13C16O2 absolute line intensities from CW-CRDS and FTS measurements in the 1.6 and 2.0 μm regions , 2008 .

[4]  G. Herzberg.  Infrared and raman spectra , 1964 .

[5]  R. L. Hawkins,et al.  Energy levels, intensities, and linewidths of atmospheric carbon dioxide bands , 1992 .

[6]  G. Amat,et al.  On Fermi resonance in carbon dioxide , 1965 .

[7]  K. Jucks,et al.  Remote sensing of planetary properties and biosignatures on extrasolar terrestrial planets. , 2002, Astrobiology.

[8]  Laurence S. Rothman,et al.  Reprint of: The HITRAN molecular spectroscopic database and HAWKS (HITRAN Atmospheric Workstation): 1996 edition , 1998 .

[9]  V. Malathy Devi,et al.  Line mixing and speed dependence in CO2 at 6348 cm-1: Positions, intensities, and air-and self-broadening derived with constrained multispectrum analysis , 2007 .

[10]  G. Piccioni,et al.  On-ground characterization of Rosetta/VIRTIS-M. I. Spectral and geometrical calibrations , 2006 .

[11]  L. Brown,et al.  Absolute line wavenumbers in the near infrared: 12C2H2 and 12C16O2 , 2002 .

[12]  Christopher Johnstone,et al.  Near infrared spectroscopy of carbon dioxide. II: 16O13C16O and 16O13C18O line positions , 2004 .

[13]  V. Malathy Devi,et al.  Self-broadened widths and shifts of 12C16O2: 4750–7000 cm−1 , 2006 .

[14]  J. Kasting.  Evolution of a habitable planet , 2003 .

[15]  Daniele Romanini,et al.  Global effective Hamiltonians of 16O13C17O and 16O13C18O improved from CW-CRDS observations in the 5900–7000 cm−1 region , 2007 .

[16]  D. Hurtmans,et al.  Line profile study of transitions in the 30012 ← 00001 and 30013 ← 00001 bands of carbon dioxide perturbed by air , 2007 .

[17]  R. Ciuryło,et al.  Multispectrum Fits of Ar-Broadened HF with a Generalized Asymmetric Lineshape: Effects of Correlation, Hardness, Speed Dependence, and Collision Duration , 2001 .

[18]  V. M. Devi,et al.  Multispectrum analysis of pressure broadening and pressure shift coefficients in the and laser bands , 2003 .

[19]  Charles E. Miller,et al.  Near infrared spectroscopy of carbon dioxide I. 16O12C16O line positions , 2004 .

[20]  David Crisp,et al.  Correcting Infrared Spectra for Atmospheric Transmission , 2007 .

[21]  S. Tashkun,et al.  Global fit of 12C16O2 vibrational–rotational line intensities using the effective operator approach , 1999 .

[22]  V. Malathy Devi,et al.  Air-broadened halfwidth and pressure shift coefficients of 12C16O2 bands: 4750–7000 cm−1 , 2007 .

[23]  Y. Awaji,et al.  Accurate optical frequency atlas of the 1.5-µm bands of acetylene , 1996 .

[24]  David Crisp,et al.  The Orbiting Carbon Observatory (OCO) mission , 2004 .

[25]  V. M. Devi,et al.  THE HITRAN MOLECULAR DATABASE: EDITIONS OF 1991 AND 1992 , 1992 .

[26]  M. Warhaut,et al.  Venus Express: Scientific goals, instrumentation, and scenario of the mission , 2006 .

[27]  C. Barnet,et al.  On the determination of atmospheric minor gases by the method of vanishing partial derivatives with application to CO2 , 2005 .

[28]  S. Tashkun,et al.  Fourier transform spectroscopy of 12C18O2 and 16O12C18O in the 3800-8500 cm-1 region and the global modeling of the absorption spectrum of 12C18O2 , 2008 .

[29]  A. Vandaele,et al.  First observation of 628 CO2 isotopologue band at 3.3 μm in the atmosphere of Venus by solar occultation from Venus Express , 2008 .

[30]  James K. Erickson,et al.  Status of Mars Reconnaissance Orbiter Mission , 2005 .

[31]  William C. Swann,et al.  Pressure-induced shift and broadening of 1510–1540-nm acetylene wavelength calibration lines , 2000 .

[32]  V. Malathy Devi,et al.  Line positions and strengths of 16O12C18O, 18O12C18O and 17O12C18O between 2200 and 7000 cm−1 , 2007 .

[33]  D. Hurtmans,et al.  Line shape parameters measurement and computations for self-broadened carbon dioxide transitions in the 30012 ← 00001 and 30013 ← 00001 bands, line mixing, and speed dependence , 2007 .

[34]  V. Malathy Devi,et al.  Line mixing and speed dependence in CO2 at 6227.9 cm−1: Constrained multispectrum analysis of intensities and line shapes in the 30013 ← 00001 band , 2007 .

[35]  G. Toon,et al.  Carbon dioxide column abundances at the Wisconsin Tall Tower site , 2006 .

[36]  Gang Li,et al.  The HITRAN 2008 molecular spectroscopic database , 2005 .

[37]  L. Rothman,et al.  Direct numerical diagonalization: Wave of the future , 1992 .

[38]  V. M. Devi,et al.  Line strengths of 16O13C16O, 16O13C18O, 16O13C17O and 18O13C18O between 2200 and 6800cm−1 , 2008 .

[39]  Laurence S. Rothman,et al.  Infrared energy levels and intensities of carbon dioxide—II , 1981 .

[40]  V. Malathy Devi,et al.  Spectroscopic challenges for high accuracy retrievals of atmospheric CO2 and the Orbiting Carbon Observatory (OCO) experiment , 2005 .

[41]  Laurence S. Rothman,et al.  The HITRAN molecular spectroscopic database: edition of 2000 including updates through 2001 , 2003 .

[42]  Franz Schreier,et al.  The 2003 edition of the GEISA/IASI spectroscopic database , 2005 .

[43]  T. Hewagama,et al.  Identification of a new band system of isotopic CO2 near 3.3 μm: Implications for remote sensing of biomarker gases on Mars , 2008 .

[44]  V. Malathy Devi,et al.  Line strengths of 12C16O2: 4550–7000 cm−1 , 2006 .

[45]  S. Tashkun,et al.  GLOBAL FITTING OF 12C16O2 VIBRATIONAL-ROTATIONAL LINE POSITIONS USING THE EFFECTIVE HAMILTONIAN APPROACH , 1998 .

[46]  A. G. Maki,et al.  Absolute frequency measurements of the 2-0 band of CO at 2.3 μm; Calibration standard frequencies from high resolution color center laser spectroscopy , 1983 .

[47]  D. Hunten.  Atmospheric Evolution of the Terrestrial Planets , 1993, Science.

[48]  V. Krasnopolsky.  Photochemistry of the martian atmosphere: Seasonal, latitudinal, and diurnal variations , 2006 .

[49]  Charles Chackerian,et al.  Collisional Line Mixing , 1992 .

[50]  S. Tashkun,et al.  CDSD-1000, the high-temperature carbon dioxide spectroscopic databank , 2003 .