13 C-nmr spectra of carbon dioxide in water are reported for a wide range in pH. Chemical shifts were determined for the following species: CO 2 (g), CO 2 (aq), HCO 3 − (aq), CO 3 2− (aq). A linear relationship was found between the shift of the 13 C line and the fraction of carbonate ion calculated to be present, as well as between the ratio of the area under the 1067 cm −1 (carbonate) Raman peak to the sum of the area under the 1067 cm −1 and 1017 cm −1 (bicarbonate) peaks and the fraction carbonate.
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Abbott et al. (1982) studied this question.