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.

Bibliographic Details
Published in:Journal of the American Chemical Society
Main Authors: Rasul, Golam, Reddy, Prakash, Zdunek, Leszek Z., Prakash, G. K. Surya, Olah, George Andrew
Format: Text
Language:unknown
Published: Scholars' Mine 1993
Subjects:
Chemistry
Carbonic acid
Online Access:https://scholarsmine.mst.edu/chem_facwork/1062
https://doi.org/10.1021/ja00059a020
Description
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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