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 relev...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'.展开更多
文摘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'.
