Author:
Armstrong D A,Waltz W L,Rauk A
Abstract
High level ab initio calculations along with isodesmic reactions have been used to derive a set of self-consistent free energies of formation for carbonate and nitrate species in the gas phase and in aqueous solution. The results show that HCO3· is a strong acid, pKa = –4.1, and that E°(CO3·–/CO32) = 1.23 ± 0.15 V.Key words: carbonate radical anion, theoretical, thermochemistry, acidity, reduction potentials.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
32 articles.
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