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...

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Veröffentlicht in:Russian journal of organic chemistry 2008-12, Vol.44 (12), p.1737-1744
Hauptverfasser: Zevatskii, Yu. E., Samoilov, D. V.
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Chemistry and Materials Science
Organic Chemistry
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container_title Russian journal of organic chemistry
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creator Zevatskii, Yu. E.
Samoilov, D. V.
description 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.
doi_str_mv 10.1134/S1070428008120026
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Chemistry and Materials Science
Organic Chemistry
title Empirical method for description of solvent effect on the ionization constants of NH acids
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