Line parameters including temperature dependences of self- and air-broadened line shapes of 12C16O2: 1.6-μm region. (July 2016)

• Record Type: Journal Article
• Authors: Devi, V. Malathy; Benner, D. Chris; Sung, Keeyoon; Brown, Linda R.; Crawford, Timothy J.; Miller, Charles E.; Drouin, Brian J.; Payne, Vivienne H.; Yu, Shanshan; Smith, Mary Ann H.; Mantz, Arlan W.; Gamache, Robert R.
• Is Part Of: Journal of quantitative spectroscopy & radiative transfer. Volume 177(2016:Jul.)
• Page Start: 117
• Page End: 144
• Publication Date: 2016-07
• Subjects: CO2 -- Lorentz width -- Pressure shift -- Temperature dependence -- Relaxation matrix element coefficients -- Speed dependence; Spectrum analysis -- Periodicals; Radiation -- Periodicals; Analyse spectrale -- Périodiques; Rayonnement -- Périodiques; Radiation; Spectrum analysis; Periodicals; 543.0858
• DOI: 10.1016/j.jqsrt.2015.12.020
• Languages: English
• ISSNs: 0022-4073

Abstract

Abstract: Pressure-broadened line shapes in the 30013←00001 (ν1 +4 ν 2 0 +ν3 ) band of 12 C 16 O2 at 6228 cm −1 are reanalyzed using new spectra recorded with sample temperatures down to 170 K. High resolution, high signal-to-noise (S/N) laboratory measurements of line shapes (Lorentz air- and self-broadened half-width coefficients, pressure-shift coefficients and off-diagonal relaxation matrix element coefficients) as a function of gas sample temperatures for various pressures and volume mixing ratios are presented. The spectra were recorded using two different Fourier transform spectrometers (FTS): (1) the McMath-Pierce FTS located at the National Solar Observatory on Kitt Peak, Arizona (and reported in Devi et al., J Mol Spectrosc 2007;245:52-80) and, (2) the Bruker IFS-125HR FTS at the Jet Propulsion Laboratory in Pasadena, California. The 19 spectra taken at Kitt Peak were all recorded near room temperature while the 27 Bruker spectra were acquired both at room temperature and colder temperatures (170-296 K). Various spectral resolutions (0.004–0.011 cm −1 ), absorption path lengths (2.46–121 m) and CO2 samples (natural and 12 C-enriched) were included in the dataset. To maximize the accuracies of the various retrieved line parameters, a multispectrum nonlinear least squares spectrum fitting software program was used to adjust the ro-vibrational constants ( G, B, D etc.) and intensity parameters (including Herman-Wallis terms) instead of directly measuring the individual line positions and intensities. To minimize systematic residuals, line mixing (via off-diagonal relaxation matrix elements) and quadratic speed dependence parameters were included in the analysis. Contributions from other weakly absorbing bands: the 30013←00001 and 30012←00001 bands of 13 C 16 O2, the 30013←00001 band of 12 C 16 O 18 O, hot bands 31113←01101 and 32212←02201 of 12 C 16 O2, as well as the 40013←10001 and the 40014←10002 bands of 12 C 16 O2, present within the fitted interval were also measured. Results from previous works and new calculations are compared to present measurements, where appropriate. Highlights: Line shape parameters of ν1 +4 ν 2 0 +ν3 (30013←00001) band of 12 C 16 O2 are measured. 522 Line positions and intensities with 110 air- and 178 self-broadened widths. Pressure shift coefficients (98 for air- and 164 for self-broadening). 47 Temperature dependence exponents for both air- and self-broadening. Off-diagonal relaxation matrix element coefficients; speed dependence parameters.