Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
The structures and 13C NMR chemical shifts of carbonic acid and its mono- and diprotonated forms were calculated using ab initio and IGLO methods, respectively. The results were compared with the experimentally obtained NMR data under superacidic conditions.
G. Rasul et al., "Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation," Journal of the American Chemical Society, vol. 115, no. 6, pp. 2236-2238, American Chemical Society (ACS), Mar 1993.
The definitive version is available at http://dx.doi.org/10.1021/ja00059a020
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© 1993 American Chemical Society (ACS), All rights reserved.