Journal article
Electronegativity and redox reactions
Abstract
Using the maximum hardness principle, we show that the oxidation potential of a molecule increases as its electronegativity increases and also increases as its electronegativity in its oxidized state increases. This insight can be used to construct a linear free energy relation for the oxidation potential, which we train on a set of 31 organic redox couples and test on a set of 10 different redox reactions. Better results are obtained when the …
Authors
Miranda-Quintana RA; González MM; Ayers PW
Journal
Physical Chemistry Chemical Physics, Vol. 18, No. 32, pp. 22235–22243
Publisher
Royal Society of Chemistry (RSC)
Publication Date
August 10, 2016
DOI
10.1039/c6cp03213c
ISSN
1463-9076