PREDICTION OF PKA VALUES OF ALKYLPHOSPHONIC ACIDS

被引：17

作者：

OHTA, K

机构：

[1] Department of Chemistry, Faculty of Liberal Arts, Hosei University, Chiyoda-ku

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 1992年 / 65卷 / 09期

关键词：

D O I：

10.1246/bcsj.65.2543

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The pK(a) values of unsubstituted and substituted alkylphosphonic acids in aqueous solution were found to have a good linear correlation with the electron densities of the phosphorus atom of the corresponding phosphonic acids, which are calculated using the PM3 method. This enabled us to predict the pK(a) values of this class of compounds.

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页码：2543 / 2545

页数：3

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