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À propos de : Substituent Effects on Thermochemical Properties of Free Radicals. New SubstituentScales for C-Centered Radicals        

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  • Substituent Effects on Thermochemical Properties of Free Radicals. New SubstituentScales for C-Centered Radicals
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  • In this work, we have analyzed substituent effects on ionization potentials and electron affinities of C-centeredradicals in terms of operational atomic contributions. The analysis was based on ionization potential datafor 48 C-centered radicals and electron affinity data for 20 C-centered radicals. For both sets of data, thecorrelation between predicted numbers and experimental data was good (R = 0.98). Based on theseoperational atomic parameters, additive substituent constants have also been derived, and equations forprediction of ionization potentials and electron affinities of C-centered radicals are presented.
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