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
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spelling ftmissouriunivst:oai:scholarsmine.mst.edu:chem_facwork-2061 2023-05-15T15:52:03+02:00 Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation Rasul, Golam Reddy, Prakash Zdunek, Leszek Z. Prakash, G. K. Surya Olah, George Andrew 1993-03-01T08:00:00Z https://scholarsmine.mst.edu/chem_facwork/1062 https://doi.org/10.1021/ja00059a020 unknown Scholars' Mine https://scholarsmine.mst.edu/chem_facwork/1062 https://doi.org/10.1021/ja00059a020 © 1993 American Chemical Society (ACS), All rights reserved. Chemistry Faculty Research & Creative Works Chemistry text 1993 ftmissouriunivst https://doi.org/10.1021/ja00059a020 2022-08-09T20:50:21Z 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. Text Carbonic acid Missouri University of Science and Technology (Missouri S&T): Scholars' Mine Journal of the American Chemical Society 115 6 2236 2238
institution Open Polar
collection Missouri University of Science and Technology (Missouri S&T): Scholars' Mine
op_collection_id ftmissouriunivst
language unknown
topic Chemistry
spellingShingle Chemistry
Rasul, Golam
Reddy, Prakash
Zdunek, Leszek Z.
Prakash, G. K. Surya
Olah, George Andrew
Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
topic_facet Chemistry
description 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.
format Text
author Rasul, Golam
Reddy, Prakash
Zdunek, Leszek Z.
Prakash, G. K. Surya
Olah, George Andrew
author_facet Rasul, Golam
Reddy, Prakash
Zdunek, Leszek Z.
Prakash, G. K. Surya
Olah, George Andrew
author_sort Rasul, Golam
title Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
title_short Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
title_full Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
title_fullStr Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
title_full_unstemmed Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation
title_sort carbonic acid and its mono- and diprotonation: nmr, ab initio, and iglo investigation
publisher Scholars' Mine
publishDate 1993
url https://scholarsmine.mst.edu/chem_facwork/1062
https://doi.org/10.1021/ja00059a020
genre Carbonic acid
genre_facet Carbonic acid
op_source Chemistry Faculty Research & Creative Works
op_relation https://scholarsmine.mst.edu/chem_facwork/1062
https://doi.org/10.1021/ja00059a020
op_rights © 1993 American Chemical Society (ACS), All rights reserved.
op_doi https://doi.org/10.1021/ja00059a020
container_title Journal of the American Chemical Society
container_volume 115
container_issue 6
container_start_page 2236
op_container_end_page 2238
_version_ 1766387368451899392

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