Normal coordinate analyses of the neutral CO3 and SO4 molecules

Normal coordinate analyses for the neutral molecules CO3 and SO4 were made. For the CO3 molecule a trans Cs structure was found to be more suitable than the three-membered ring C2v bridged structure, based on frequency and isotopic fit and force constant transferability. Three structures were consid...

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Bibliographic Details
Published in:The Journal of chemical physics 1977-01, Vol.67 (4), p.1477-1481
Main Authors: LaBonville, P., Kugel, R., Ferraro, J. R.
Format: Article
Language:English
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Summary:Normal coordinate analyses for the neutral molecules CO3 and SO4 were made. For the CO3 molecule a trans Cs structure was found to be more suitable than the three-membered ring C2v bridged structure, based on frequency and isotopic fit and force constant transferability. Three structures were considered for the SO4 molecule: C3v, C2v bridged structure, and Cs. The Cs structure was preferred because of the agreement between observed and calculated frequencies and reasonable values for the force constants.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.435022