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. 2023 Jan 27;57(47):18658–18667. doi: 10.1021/acs.est.2c07694

Figure 1.

Figure 1

Quantitative structure–activity relationship of the measured second-order rate constants for the reactions of all selected model compounds (except p-benzoquinone) with Br and the computed free energies of activation for electron transfer reactions (see Table 1). The aromatic compounds with reported kBr• in the literature10,12 are labeled as “(ref)” and are also shown for comparison. The literature values were not included in the regression.