Direct potential fit analysis of the X1Σ+ ground state of CO

John A. Coxon, Photos G. Hajigeorgiou

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87 Citations (Scopus)

Abstract

The rotational and vibration-rotational spectroscopic transitions of CO (X1σ+) were analyzed. The spectroscopic data were reduced directly to Hamiltonian operators in full analytic form and with maximum degree of compactness. The very large data set available for seven isotopomers of CO was represented by a direct potential fitting model employing 29 fitted parameters. The results show that the potential function for CO(X) presented by Ogilvie and co-workers is flawed and incompatible with the experimental data employed in its determination.

Original languageEnglish
Pages (from-to)2992-3008
Number of pages17
JournalJournal of Chemical Physics
Volume121
Issue number7
DOIs
Publication statusPublished - 15 Aug 2004

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