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The electron affinities (EAs) of a training set of 29 monosubstituted benzalacetophenones (chalcones) were computed at the ab initio density functional B3LYP/6-31G * level of theory. The EAs and experimental reduction potentials of the training set are highly linearly correlated (correlation coefficient of 0.969 and standard deviation of 10.8mV). An additional 72 di-, tri-, and tetrasubstituted...
The reduction potentials of a set of 23 monosubstituted and 7 disubstituted benzalacetophenones (chalcones) are linearly correlated considerably better with the σ n values of van Bekkum, Verkade, and Wepster than with Hammett σ. Groups were found to exert the same effect upon the reduction potential irrespective of which ring they are located on. The data for monosubstituted benzalacetophenones...
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