An empirical, quantitative approach to predict the reactivity of some substituted aromatic compounds towards reactive radical species (Cl2-*, Br2-*, *NO2, SO3-*, SO4-*) in aqueous solution.
The Hammett approach, applied to the reaction of various classes of aromatic compounds with the radicals Cl2-*, Br2-*, *NO2, SO3-*, and SO4-* yielded good predictive models, supported by high values of the correlation coefficient r2 in the case of phenols with Cl2-* and of phenolates with *NO2 and SO3-*. Lower but statistically significant correlation coefficients could be obtained for benzoates with Cl2-*, phenolates with Br2-*, and benzoates and anisoles with SO4-*.
Minero
Claudio
C
Dipartimento di Chimica Analitica, Università di Torino, Italy.
Maurino
Valter
V
Pelizzetti
Ezio
E
Vione
Davide
D
D001966:Bromine / Q000737:chemistry; D002713:Chlorine / Q000737:chemistry; D005609:Free Radicals / Q000737:chemistry*; D007700:Kinetics; D009573:Nitrites / Q000737:chemistry; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry*; D011237:Predictive Value of Tests; D012995:Solubility; D013329:Structure-Activity Relationship; D013431:Sulfates / Q000737:chemistry; D013447:Sulfites / Q000737:chemistry; D014865:Waste Disposal, Fluid / Q000379:methods*; D014874:Water Pollutants, Chemical / Q000032:analysis*
D005609:Free Radicals; D009573:Nitrites; D011084:Polycyclic Aromatic Hydrocarbons; D013431:Sulfates; D013447:Sulfites; D014874:Water Pollutants, Chemical; D002713:Chlorine; D001966:Bromine