ROVIBRATIONAL LINE LISTS FOR NINE ISOTOPOLOGUES OF THE CO MOLECULE IN THE X1Σ+ GROUND ELECTRONIC STATE

被引:393
作者
Li, Gang [1 ]
Gordon, Iouli E. [1 ]
Rothman, Laurence S. [1 ]
Tan, Yan [2 ]
Hu, Shui-Ming [2 ]
Kassi, Samir [3 ]
Campargue, Alain [3 ]
Medvedev, Emile S. [4 ]
机构
[1] Harvard Smithsonian Ctr Astrophys, Atom & Mol Phys Div, Cambridge, MA 02138 USA
[2] Univ Sci & Technol China, Hefei Natl Lab Sci Microscale, Hefei 230026, Peoples R China
[3] Univ Grenoble 1, CNRS, Lab Interdisciplinaire Phys, UMR 5588, F-38402 St Martin Dheres, France
[4] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Russia
基金
俄罗斯基础研究基金会;
关键词
astronomical databases: miscellaneous; catalogs; methods: laboratory: molecular; molecular data; planets and satellites: atmospheres; stars: atmospheres; DIPOLE-MOMENT FUNCTION; INCLUDING TEMPERATURE DEPENDENCES; REFERENCE SPECTROSCOPIC DATA; INTERNAL PARTITION SUMS; BROADENED HALF-WIDTHS; CARBON-MONOXIDE; (CO)-C-12-O-16 RELEVANT; HITRAN DATABASE; MU-M; ATMOSPHERIC SPECTRA;
D O I
10.1088/0067-0049/216/1/15
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Extensive rovibrational line lists were computed for nine isotopologues of the CO molecule, namely, 12C16O, (CO)-C-12-O-17, (CO)-C-12-O-18, (CO)-C-13-O-16, (CO)-C-13-O-17, (CO)-C-13-O-18, (CO)-C-14-O-16, (CO)-C-14-O-17, and (CO)-C-14-O-18 in the ground electronic state with v <= 41, Delta v <= 11, and J <= 150. The line intensity and position calculations were carried out using a newly determined piecewise dipole moment function (DMF) in conjunction with the wavefunctions calculated from an experimentally determined potential energy function from Coxon & 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 CO2 and H-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.
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页数:18
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