Empirical method for description of solvent effect on the ionization constants of NH acids

Empirical method for description of solvent effect on the ionization constants of NH acids

An empirical method was used to calculate 192 ionization constants of 24 NH acids in 8 solvents. The relative error in the calculations did not exceed 10%, and the average error was no higher than 3.5%. The calculated values were compared with those obtained by quantum-chemical and other up-to-date...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Russian journal of organic chemistry 2008-12, Vol.44 (12), p.1737-1744
Hauptverfasser: Zevatskii, Yu. E., Samoilov, D. V.
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Chemistry and Materials Science
Organic Chemistry
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:An empirical method was used to calculate 192 ionization constants of 24 NH acids in 8 solvents. The relative error in the calculations did not exceed 10%, and the average error was no higher than 3.5%. The calculated values were compared with those obtained by quantum-chemical and other up-to-date methods for the determination of acid ionization constants in various solvents.
ISSN:1070-4280
1608-3393
DOI:10.1134/S1070428008120026