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According to the results of SCF-CNDO/2 computation, we propose employing the“ladder weighting summation” to define a G_e index which is used to measure the relative magnitudeof the nucleophilicity of the relevant amine and pseudo acid components in a Mannich reaction. Wealso put forward an A_e index to measure the relative magnitude of the electrophilicity of methylene-amine cationic species in the same reaction. A combined use of both G_e and A_e indices is suggestedto evaluate the feasibility of a Mannich reaction for the polynitromethanes and the stability of theproducts. These results are consistent with those conclusions drawn from “soft-hard acid-basetheory”.
According to the results of SCF-CNDO / 2 computation, we propose employing the “ladder weighting summation ” to define a G_e index which is used to measure the relative magnitude of the nucleophilicity of the relevant amine and pseudo acid components in a Mannich reaction . Wealso put forward an A_e index to measure the relative magnitude of the electrophilicity of methylene-amine cationic species in the same reaction. A combined use of both G_e and A_e indices is suggested to evaluate the feasibility of a Mannich reaction for the polynitromethanes and the stability of theproducts. These results are consistent with those ideas drawn from “soft-hard acid-basetheory”.