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Mechanism of pH Dependent Decomposition of Monoalkylamine Diazeniumdiolates to Form HNO and NO, Deduced from the Model Compound Methylamine Diazeniumdiolate, Density Functional Theory and CBS-QB3 Calculations

Isopropylamine diazeniumdiolate, IPA/NO, the product of the reaction of isopropylamine and nitric oxide, NO, decomposes in a pH dependent manner to afford nitroxyl, HNO, in the pH range of 13 to above 5 and NO below pH 7. Theoretical studies using B3LYP/6-311+G(d) density functional theory, the PCM...

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Detalhes bibliográficos
Main Authors: Dutton, Andrew S., Suhrada, Christopher P., Miranda, Katrina M., Wink, David A., Fukuto, Jon M., Houk, K. N.
Formato: Artigo
Idioma:Inglês
Publicado em: 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3164114/
https://ncbi.nlm.nih.gov/pubmed/16529464
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic051505z
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