Rovibrational Line Lists For Nine Isotopologues Of Co Suitable For Modelling And Interpreting Spectra At Very High Temperatures And Diverse Environment

Li, Gang

Permalink

https://hdl.handle.net/2142/51117 Copy

Description

Title

Rovibrational Line Lists For Nine Isotopologues Of Co Suitable For Modelling And Interpreting Spectra At Very High Temperatures And Diverse Environment

Author(s)

Li, Gang

Contributor(s)

• Campargue, Alain
• Kassi, Samir
• Hu, Shui-Ming
• Tan, Yan
• Rothman, Laurence S.
• Gordon, Iouli E.

Issue Date

2014-06-16

Keyword(s)

Linelists, Lineshapes, Collisions

Abstract

"~~In order to improve and extend existing HITRAN\footnote{L. S. Rothman, I. E. Gordon, et al. ""The HITRAN 2012 molecular spectroscopic database,"" JQSRT 113, 4-50 (2013).} and HITEMP\footnote{L. S. Rothman, I. E. Gordon, et al. ""HITEMP, the high-temperature molecular spectroscopic database,"" JQSRT 111, 2139-2150 (2010).} data for carbon monoxide, the ro-vibrational line lists were computed for all transitions of nine isotopologues of the CO molecule, namely $^{12}$C$^{16}$O, $^{12}$C$^{17}$O, $^{12}$C$^{18}$O, $^{13}$C$^{16}$O, $^{13}$C$^{17}$O, $^{13}$C$^{18}$O, $^{14}$C$^{16}$O, $^{14}$C$^{17}$O, and $^{14}$C$^{18}$O in the electronic ground state up to $v$ = 41 and $J$ = 150. Line positions and intensity calculations were carried out using a newly-determined piece-wise dipole moment function (DMF) in conjunction with the wavefunctions calculated from a previous experimentally-determined potential energy function of Coxon and Hajigeorgiou\footnote{J. Coxon and P. Hajigeorgiou. ""Direct potential fit analysis of the $X^{1}\Sigma^{+}$ ground state of CO,"" J. Chem. Phys. 121, 2992-3008 (2004).}. Ab initio calculations and a direct-fit method which simultaneously fits all the reliable experimental ro-vibrational matrix elements has been used to construct the piecewise dipole moment function.\\ ~~To provide additional input parameters into the fit, new Cavity Ring Down Spectroscopy experiments were carried out to enable measurements of the lines in the 4-0 band with low uncertainty (Grenoble) as well as the first measurements of lines in the 6-0 band (Hefei).\\ ~~Accurate partition sums have been derived through direct summation for a temperature range from 1 to 9000 Kelvin. A complete set of broadening and shift parameters is also provided and now include parameters induced by CO$_{2}$ and H$_{2}$ to aid planetary applications."

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51117

DOI

https://doi.org/10.15278/isms.2014.MK02

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

Owning Collections