pKa constant determination of two triazole herbicides : Tebuconazole and Penconazole - Individual Prediction and Prevention of Risks of Immunosuppressive Therapies in Transplantation Access content directly
Journal Articles Journal of Solution Chemistry Year : 2013

pKa constant determination of two triazole herbicides : Tebuconazole and Penconazole

Abstract

We determined the acidity constants of tebuconazole and penconazole, two fungicides from the group of 1,2,4-triazoles. Potentiometric titrations were performed in a 20 % (v/v) acetonitrile/water mixture at 25 °C and at a fixed ionic strength (KNO3, 0.1 mol*dm−3). The pKa values (representing thermodynamic constants) were determined to be 5.0 ± 0.1 and 5.2 ± 0.1 for tebuconazole and penconazole, respectively. These values could be used in pure water solutions to consider the protonated or deprotonated forms when studying the field behavior of these fungicides. Molecular modeling calculations allowed identifying the N4 atom as the protonation site.
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Dates and versions

hal-00929974 , version 1 (20-02-2014)

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Eva Čadková, Michael Komárek, Jean Debord, Della Puppa Loïc, François Bordas, et al.. pKa constant determination of two triazole herbicides : Tebuconazole and Penconazole. Journal of Solution Chemistry, 2013, 42, pp.1075-1082. ⟨10.1007/s10953-013-0012-z⟩. ⟨hal-00929974⟩
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