Title of article
Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid
Author/Authors
Contreras، نويسنده , , Renato and Galvلn، نويسنده , , Marcelo and Oliva، نويسنده , , Mَnica and Safont، نويسنده , , Vincent S. and Andrés، نويسنده , , Juan-Carlos Guerra، نويسنده , , Doris and Aizman، نويسنده , , Arie، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
6
From page
216
To page
221
Abstract
For the isomerization of HOONO to nitric acid, a spin triplet reactive intermediate 3HOONO∗ was identified on a two state reactivity (TSR) potential energy surface. This bi-radical is postulated as one of the possible activated species responsible for the potent oxidant activity attributed to H-peroxynitrite. A theoretical analysis based on spin density-dependent reactivity indices consistently explains the observed reactivity of this molecule in biological and model systems.
Journal title
Chemical Physics Letters
Serial Year
2008
Journal title
Chemical Physics Letters
Record number
1924106
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