ROVIBRATIONAL LINE LISTS FOR NINE ISOTOPOLOGUES OF THE CO MOLECULE IN THE X {sup 1}Σ{sup +} GROUND ELECTRONIC STATE
- Harvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, Cambridge, MA 02138 (United States)
- Hefei National Laboratory for Sciences at Microscale, University of Science and Technology of China, 230026 Hefei (China)
- Laboratoire Interdisciplinaire de Physique, CNRS UMR 5588, Université Joseph Fourier de Grenoble, B.P. 87, F-38402 Saint-Martin-d'Hères Cedex (France)
Extensive rovibrational line lists were computed for nine isotopologues of the CO molecule, namely, {sup 12}C{sup 16}O, {sup 12}C{sup 17}O, {sup 12}C{sup 18}O, {sup 13}C{sup 16}O, {sup 13}C{sup 17}O, {sup 13}C{sup 18}O, {sup 14}C{sup 16}O, {sup 14}C{sup 17}O, and {sup 14}C{sup 18}O in the ground electronic state with v ≤ 41, Δv ≤ 11, and J ≤ 150. The line intensity and position calculations were carried out using a newly determined piece-wise dipole moment function (DMF) in conjunction with the wavefunctions calculated from an experimentally determined potential energy function from Coxon and Hajigeorgiou. A direct-fit method that simultaneously fits all the reliable experimental rovibrational matrix elements has been used to construct the dipole moment function near equilibrium internuclear distance. In order to extend the amount and quality of input experimental parameters, new Cavity Ring Down Spectroscopy experiments were carried out to enable measurements of the lines in the 4-0 band with low uncertainty as well as the first measurements of lines in the 6-0 band. A new high-level ab initio DMF, derived from a finite field approach has been calculated to cover internuclear distances far from equilibrium. Accurate partition sums have been derived for temperatures up to 9000 K. In addition to air- and self-induced broadening and shift parameters, those induced by CO{sub 2} and H{sub 2} are now provided for planetary applications. A complete set of broadening and shift parameters was calculated based on sophisticated extrapolation of high-quality measured data. The line lists, which follow HITRAN formalism, are provided as supplementary material.
- OSTI ID:
- 22340106
- Journal Information:
- Astrophysical Journal, Supplement Series, Vol. 216, Issue 1; Other Information: Country of input: International Atomic Energy Agency (IAEA); ISSN 0067-0049
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
79 ASTROPHYSICS
COSMOLOGY AND ASTRONOMY
CARBON 12
CARBON 13
CARBON 14
CARBON DIOXIDE
CARBON MONOXIDE
CATALOGS
DIPOLE MOMENTS
EQUILIBRIUM
EXTRAPOLATION
GROUND STATES
HYDROGEN
MATRIX ELEMENTS
MOLECULES
OXYGEN 16
OXYGEN 17
OXYGEN 18
PLANETS
SPECTROSCOPY
VIBRATIONAL STATES
WAVE FUNCTIONS