Proton affinity of phosphoryl compounds and ??-substituent constants

descriptionPublicationkeyboard_double_arrow_right Article 01 Jun 1991 English Publisher:Springer Science and Business Media LLCJournal:Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, volume 40, pages 1,176-1,179 (issn: 0568-5230, eissn: 1573-9171,

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Authors: L. N. Alekseiko; V. V. Gorchakov; M. I. Kabachnik; E. I. Matrosov; S. N. Slabzhennikov;

doi: 10.1007/bf00961292

Proton affinity of phosphoryl compounds and ??-substituent constants

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Abstract

Based on the familiar Hammett-type equation pKa=pKa 0- $$\rho \sum\limits_i {\sigma _i ^\Phi } $$ , CNDO/2 calculations, and known literature data, we have obtained a linear dependence of the proton affinity (PA) of phosphoryl compounds XYZPO on the sum of the σΦ constants. We have determined the center of protonation in the gas phase and the characteristics of the solvent effect on the basicity.

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Russian Academy of Sciences
Russian Federation

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