Parr–Brown Anharmonic Potential Function Applied to CO2 and CS2

An anharmonic potential function proposed by Parr and Brown in a form suited to symmetric linear triatomic molecules has been tested against experimental spectroscopic data for CO2 and CS2. The potential function, with only four or five adjustable parameters, gives a good fit to the spectroscopic da...

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Bibliographic Details
Published in:The Journal of chemical physics 1970-01, Vol.53 (6), p.2411-2415
Main Authors: Smith, D. Foss, Overend, John
Format: Article
Language:English
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Summary:An anharmonic potential function proposed by Parr and Brown in a form suited to symmetric linear triatomic molecules has been tested against experimental spectroscopic data for CO2 and CS2. The potential function, with only four or five adjustable parameters, gives a good fit to the spectroscopic data and models fairly well the general quartic force field of CO2, which contains 12 independent force constants.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1674340