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. 2021 Dec 7;6(50):34904–34911. doi: 10.1021/acsomega.1c05563

Table 5. Theoretical Activation Enthalpies of Ag-Assisted Decarboxylation with Different Substituents.

substituent X Hammett constant σpara20 ΔHdecarboxylation (kcal/mol)
–NH2 –0.66 35.9
–OMe –0.27 36.8
–Me –0.17 37.4
–H 0 37.8
–Cl 0.23 38.1
–NO2 0.78 39.2