An Experimental Validated Computational Method for pKa Determination of Substituted 1,2-Dihydroxybenzenes

An Experimental Validated Computational Method for pKa Determination of Substituted 1,2-Dihydroxybenzenes

1,2-dihydroxybenzenes (DHBs) are organic compounds which are widely studied as they are applied to advanced oxidation processes (AOPs). These compounds are also related to the development of oxidative stress, wood biodegradation, and neuronal disease in humans. DHBs are metal ligands with pro-oxidan...

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Bibliographic Details
Main Authors: Romina Romero, Pablo R. Salgado, César Soto, David Contreras, Victoria Melin
Format: Article
Language:English
Published: Frontiers Media S.A. 2018-07-01
Series:Frontiers in Chemistry
Subjects:
dihydroxybenzene
pKa
catechols
catecholamines
Hammett constant and acidity constant
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2018.00208/full

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