Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation

Golam Rasul; Prakash Reddy; Leszek Z. Zdunek; G. K. Surya Prakash; George Andrew Olah

doi:10.1021/ja00059a020

Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation

Golam Rasul
, Prakash Reddy
, Leszek Z. Zdunek
, G. K. Surya Prakash
, George Andrew Olah

Missouri University of Science and Technology

Research output: Contribution to journal › Article › peer-review

Abstract

The structures and ¹³ C 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.

Original language	American English
Journal	Journal of the American Chemical Society
Volume	115
DOIs	https://doi.org/10.1021/ja00059a020
State	Published - Mar 1 1993

Disciplines

Chemistry

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@article{d83b6ac527fd4dfc8bc45b39fed96a16,

title = "Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation",

abstract = " The structures and 13 C 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.",

author = "Golam Rasul and Prakash Reddy and Zdunek, \{Leszek Z.\} and Prakash, \{G. K. Surya\} and Olah, \{George Andrew\}",

year = "1993",

month = mar,

day = "1",

doi = "10.1021/ja00059a020",

language = "American English",

volume = "115",

journal = "Journal of the American Chemical Society",

issn = "1520-5126",

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TY - JOUR

T1 - Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation

AU - Rasul, Golam

AU - Reddy, Prakash

AU - Zdunek, Leszek Z.

AU - Prakash, G. K. Surya

AU - Olah, George Andrew

PY - 1993/3/1

Y1 - 1993/3/1

N2 - The structures and 13 C 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.

AB - The structures and 13 C 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.

UR - https://scholarsmine.mst.edu/chem_facwork/1062

UR - https://doi.org/10.1021/ja00059a020

U2 - 10.1021/ja00059a020

DO - 10.1021/ja00059a020

M3 - Article

SN - 1520-5126

VL - 115

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

ER -

Carbonic Acid and its Mono- and Diprotonation: NMR, Ab Initio, and IGLO Investigation

Abstract

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