Normal coordinate analyses of the neutral CO3 and SO4 molecules

Abstract

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.