Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X 1σ + state and new set of mass-independent Dunham coefficients

Abstract

A set of mass-independent U _mj and Δ _mj parameters globally describing vibration-rotation energy levels of the CO molecule in the X ¹σ ⁺ ground electronic state was fitted to more than 19,000 transitions of ¹²C ¹⁶O, ¹³C ¹⁶O, ¹⁴C ¹⁶O, ¹²C ¹⁷O, ¹³C ¹⁷O, ¹²C ¹⁸O, and ¹³C ¹⁸O isotopologues collected from the literature. The maximal values of the vibrational V and the rotational J quantum numbers included in the fit was 41 and 128, respectively. The weighted standard deviation of the fit is 66. Fitted parameters were used for calculation of Dunham coefficients Y _mj for nine isotopologues ¹²C ¹⁶O, ¹³C ¹⁶O, ¹⁴C ¹⁶O, ¹²C ¹⁷O, ¹³C ¹⁷O, ¹⁴C ¹⁷O, ¹²C ¹⁸O, ¹³C ¹⁸O, and ¹⁴C ¹⁸O. Calculated transition frequencies based on the fitted parameters were compared with previously reported. A critical analysis of the CO HITRAN and HITEMP data is also presented.

Original language	English
Pages (from-to)	1643-1655
Number of pages	13
Journal	Journal of Quantitative Spectroscopy and Radiative Transfer
Volume	113
Issue number	13
DOIs	https://doi.org/10.1016/j.jqsrt.2012.04.014
Publication status	Published - Sep 2012

Keywords

Carbon monoxide
Dunham coefficients
HITEMP
HITRAN
Microwave frequencies
Vibration-rotation frequencies

ASJC Scopus subject areas

Spectroscopy
Atomic and Molecular Physics, and Optics
Radiation

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10.1016/j.jqsrt.2012.04.014

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Velichko, T. I., Mikhailenko, S. N., & Tashkun, S. A. (2012). Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X 1σ + state and new set of mass-independent Dunham coefficients. Journal of Quantitative Spectroscopy and Radiative Transfer, 113(13), 1643-1655. https://doi.org/10.1016/j.jqsrt.2012.04.014

Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X 1σ + state and new set of mass-independent Dunham coefficients. / Velichko, T. I.; Mikhailenko, S. N.; Tashkun, S. A.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 113, No. 13, 09.2012, p. 1643-1655.

Research output: Contribution to journal › Article › peer-review

Velichko, TI, Mikhailenko, SN & Tashkun, SA 2012, 'Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X 1σ + state and new set of mass-independent Dunham coefficients', Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 113, no. 13, pp. 1643-1655. https://doi.org/10.1016/j.jqsrt.2012.04.014

Velichko TI, Mikhailenko SN, Tashkun SA. Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X 1σ + state and new set of mass-independent Dunham coefficients. Journal of Quantitative Spectroscopy and Radiative Transfer. 2012 Sep;113(13):1643-1655. https://doi.org/10.1016/j.jqsrt.2012.04.014

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title = "Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X 1σ + state and new set of mass-independent Dunham coefficients",

abstract = "A set of mass-independent U mj and Δ mj parameters globally describing vibration-rotation energy levels of the CO molecule in the X 1σ + ground electronic state was fitted to more than 19,000 transitions of 12C 16O, 13C 16O, 14C 16O, 12C 17O, 13C 17O, 12C 18O, and 13C 18O isotopologues collected from the literature. The maximal values of the vibrational V and the rotational J quantum numbers included in the fit was 41 and 128, respectively. The weighted standard deviation of the fit is 66. Fitted parameters were used for calculation of Dunham coefficients Y mj for nine isotopologues 12C 16O, 13C 16O, 14C 16O, 12C 17O, 13C 17O, 14C 17O, 12C 18O, 13C 18O, and 14C 18O. Calculated transition frequencies based on the fitted parameters were compared with previously reported. A critical analysis of the CO HITRAN and HITEMP data is also presented.",

keywords = "Carbon monoxide, Dunham coefficients, HITEMP, HITRAN, Microwave frequencies, Vibration-rotation frequencies",

author = "Velichko, {T. I.} and Mikhailenko, {S. N.} and Tashkun, {S. A.}",

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AU - Tashkun, S. A.

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N2 - A set of mass-independent U mj and Δ mj parameters globally describing vibration-rotation energy levels of the CO molecule in the X 1σ + ground electronic state was fitted to more than 19,000 transitions of 12C 16O, 13C 16O, 14C 16O, 12C 17O, 13C 17O, 12C 18O, and 13C 18O isotopologues collected from the literature. The maximal values of the vibrational V and the rotational J quantum numbers included in the fit was 41 and 128, respectively. The weighted standard deviation of the fit is 66. Fitted parameters were used for calculation of Dunham coefficients Y mj for nine isotopologues 12C 16O, 13C 16O, 14C 16O, 12C 17O, 13C 17O, 14C 17O, 12C 18O, 13C 18O, and 14C 18O. Calculated transition frequencies based on the fitted parameters were compared with previously reported. A critical analysis of the CO HITRAN and HITEMP data is also presented.

AB - A set of mass-independent U mj and Δ mj parameters globally describing vibration-rotation energy levels of the CO molecule in the X 1σ + ground electronic state was fitted to more than 19,000 transitions of 12C 16O, 13C 16O, 14C 16O, 12C 17O, 13C 17O, 12C 18O, and 13C 18O isotopologues collected from the literature. The maximal values of the vibrational V and the rotational J quantum numbers included in the fit was 41 and 128, respectively. The weighted standard deviation of the fit is 66. Fitted parameters were used for calculation of Dunham coefficients Y mj for nine isotopologues 12C 16O, 13C 16O, 14C 16O, 12C 17O, 13C 17O, 14C 17O, 12C 18O, 13C 18O, and 14C 18O. Calculated transition frequencies based on the fitted parameters were compared with previously reported. A critical analysis of the CO HITRAN and HITEMP data is also presented.

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KW - Vibration-rotation frequencies

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