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

T. I. Velichko, S. N. Mikhailenko, S. A. Tashkun

Research output: Contribution to journalArticle

21 Citations (Scopus)

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 languageEnglish
Pages (from-to)1643-1655
Number of pages13
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume113
Issue number13
DOIs
Publication statusPublished - Sep 2012

Fingerprint

Carbon Monoxide
vibration
Electronic states
coefficients
Electron energy levels
quantum numbers
Molecules
standard deviation
energy levels
electronics
molecules

Keywords

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

ASJC Scopus subject areas

  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Radiation

Cite this

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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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T1 - 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

AU - Velichko, T. I.

AU - Mikhailenko, S. N.

AU - Tashkun, S. A.

PY - 2012/9

Y1 - 2012/9

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.

KW - Carbon monoxide

KW - Dunham coefficients

KW - HITEMP

KW - HITRAN

KW - Microwave frequencies

KW - Vibration-rotation frequencies

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