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.
Published in: | Journal of the American Chemical Society |
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Main Authors: | , , , , |
Format: | Text |
Language: | unknown |
Published: |
Scholars' Mine
1993
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Subjects: | |
Online Access: | https://scholarsmine.mst.edu/chem_facwork/1062 https://doi.org/10.1021/ja00059a020 |
Summary: | 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. |
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