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On the proton affinity of peroxynitrite and peroxynitrous acid

Kazazić, Saša; Kazazić, Snježana; Klasinc, Leo; McGlynn, Sean P.; Pryor, William A. (2001) On the proton affinity of peroxynitrite and peroxynitrous acid. Croatica Chemica Acta, 74 (2). pp. 271-275. ISSN 0011-1643

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The proton affinity (PA) of peroxynitrite (ONOO(-)) and peroxynitrous acid (ONOOH) are calculated to be 1440.5 kJ mol(-1) and 749.8 kJ mol(-1), respectively. Comparison with results for the nitrous, nitric and peroxynitric acid and their anions supports these estimates.

Item Type: Article
Uncontrolled Keywords: proton affinity (G2) calculation; dioxonitrate(-); hydrogendioxonitrate; dihydrogendioxonitrate(+); oxoperoxonitrate(-); hydrogenoxoperoxonitrate; dihydrogenoxoperoxonitrate(+); trioxonitrate(-); hydrogentrioxonitrate; dihydrogentrioxonitrate(+); dioxoperoxonitrate(-); hydrogendioxoperoxonitrate; dihydrogendioxoperoxonitrate(+); gas-phase; nitric-acid; superoxide; gaussian-2; electron; oxide
Subjects: NATURAL SCIENCES > Chemistry
Divisions: Division of Physical Chemistry
Project titleProject leaderProject codeProject type
Sastav, svojstva i dinamika plinskih sustavaTomislav Cvitaš00980601MZOS
Reaktivnost i reakcijski mehanizmiLeo Klasinc00980604MZOS
Depositing User: Leo Klasinc
Date Deposited: 20 Nov 2013 09:16

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