Protonated carbonic acid and the trihydroxymethyl radical in the gas phase. A Neutralization-Reionization Mass Spectrometry and ab initio/RRKM study

Gerbaux, Pascal; Turecek, Frantisek

doi:10.1021/jp020162c

Article (Scientific journals)

Protonated carbonic acid and the trihydroxymethyl radical in the gas phase. A Neutralization-Reionization Mass Spectrometry and ab initio/RRKM study

Gerbaux, Pascal; Turecek, Frantisek

2002 • In Journal of Physical Chemistry. A, 106 (24), p. 5938-5950

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https://hdl.handle.net/20.500.12907/38247

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10.1021/jp020162c

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Abstract :

[en] Gas-phase protonation of carbonic acid is predicted to occur preferentially at the carbonyl oxygen with the 298 K proton affinity that was calculated as PA = 741 and 775 kJ mol-1 for the syn- and anti-conformer, respectively. The hydroxyl groups are less

Disciplines :

Chemistry

Author, co-author :

Gerbaux, Pascal

Turecek, Frantisek

Language :

English

Title :

Protonated carbonic acid and the trihydroxymethyl radical in the gas phase. A Neutralization-Reionization Mass Spectrometry and ab initio/RRKM study

Publication date :

01 January 2002

Journal title :

Journal of Physical Chemistry. A

ISSN :

1089-5639

eISSN :

1520-5215

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

106

Issue :

Pages :

5938-5950

Peer reviewed :

Peer Reviewed verified by ORBi

Research unit :

S836 - Synthèse et spectrométrie de masse organiques

Commentary :

Publié en ligne le 29 mai 2002

Available on ORBi UMONS :

since 10 July 2010

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