skip to main content

Title: Global analysis of the high temperature infrared emission spectrum of {sup 12}CH{sub 4} in the dyad (ν{sub 2}/ν{sub 4}) region

We report new assignments of vibration-rotation line positions of methane ({sup 12}CH{sub 4}) in the so-called dyad (ν{sub 2}/ν{sub 4}) region (1100–1500 cm{sup −1}), and the resulting update of the vibration-rotation effective model of methane, previously reported by Nikitin et al. [Phys. Chem. Chem. Phys. 15, 10071 (2013)], up to and including the tetradecad. High resolution (0.01 cm{sup −1}) emission spectra of methane have been recorded up to about 1400 K using the high-enthalpy source developed at Institut de Physique de Rennes associated with the Fourier transform spectrometer of the SOLEIL synchrotron facility (AILES beamline). Analysis of these spectra allowed extending rotational assignments in the well-known cold band (dyad-ground state (GS)) and related hot bands in the pentad–dyad system (3000 cm{sup −1}) up to J{sub max} = 30 and 29, respectively. In addition, 8512 new transitions belonging to the octad–pentad (up to J = 28) and tetradecad-octad (up to J = 21) hot band systems were successfully identified. As a result, the MeCaSDa database of methane was significantly improved. The line positions assigned in this work, together with the information available in the literature, were fitted using 1096 effective parameters with a dimensionless standard deviation σ = 2.09. The rootmore » mean square deviations d{sub RMS} are 3.60 × 10{sup −3} cm{sup −1} for dyad-GS cold band, 4.47 ×10{sup −3} cm{sup −1} for the pentad–dyad, 5.43 × 10{sup −3} cm{sup −1} for the octad–pentad, and 4.70 × 10{sup −3} cm{sup −1} for the tetradecad–octad hot bands. The resulting new line list will contribute to improve opacity and radiative transfer models for hot atmospheres, such as those of hot-Jupiter type exoplanets.« less
Authors:
; ;  [1] ;  [2] ;  [3] ;  [4]
  1. Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), UMR 6303 CNRS, Université Bourgogne Franche-Comté, 9 Avenue A. Savary, BP 47870, 21078 Dijon Cedex (France)
  2. Ligne AILES, Synchrotron SOLEIL, L’Orme des Merisiers, F-91192 Gif-sur-Yvette, France and Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Université Paris Sud, Université Paris-Saclay, F-91405 Orsay (France)
  3. Institut de Physique de Rennes, UMR 6251, Campus de Beaulieu, Université de Rennes 1/CNRS, F-35042 Rennes Cedex (France)
  4. Service de Chimie Quantique et Photophysique, C.P. 160/09, Université Libre de Bruxelles, 50 Avenue F. D. Roosevelt, B-1050 Brussels (Belgium)
Publication Date:
OSTI Identifier:
22493643
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 144; Journal Issue: 2; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALLOCATIONS; ATMOSPHERES; EMISSION SPECTRA; ENTHALPY; GLOBAL ANALYSIS; GROUND STATES; METHANE; OPACITY; RADIANT HEAT TRANSFER; RESOLUTION; ROTATIONAL STATES; TEMPERATURE DEPENDENCE; VIBRATIONAL STATES