Transmission of substituent effects. Correlation of methyl to hydrogen rate ratios in diverse heterocyclic systems with CNDO/2 parameters

B Bartman, EC Gordon, M Gonzalez-Kutas…

文献索引：Bartman,B. et al. Journal of Organic Chemistry, 1976 , vol. 41, p. 776 - 780

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被引用次数: 8

摘要

A modification of the Dewar-Grisdale equation, parameterized with Brown's electrophilic substituent con-stants, g+, and CNDO/2 regional charge distributions, is successful in correlating reactivity ratios for the solvolysis of a wide variety of heteroarylethanol derivatives and nuclear substituted analogues. The equation log kMMe/kH= 1.4 lpAqjj, predicted by this development, is closely obeyed by the observed reactivity ratios for 34 pairs of ...