Subject: UV-Vis spectroscopy, benzoylhydrazones, protonation, thermodynamic dissociation constant, Characteristic Vector Analysis, QSAR, descriptors
Year: 2022
Type: Article
Title: COMPARISON AND QSAR STUDY OF THERMODYNAMIC pKBH VALUES OF BENZOYLHYDRAZONES DETERMINED BY UV-VIS SPECTROSCOPY
Author: Mirjana S. Jankulovska, Vesna Dimova, Milena Jankulovska-Petkovska
Abstract: Thermodynamic dissociation constants of fifteen protonated aromatic hydrazones were determined by UV-Vis spectroscopic method, as one of the main methods for determination of pKBH+ values of a weak acids and bases. The stoichiometric pKBH+ values of investigated compounds were determined at three different ionic strengths (0.1, 0.25 and 0.5 mol/dm3) in acidic media (1 < pH < 7). The thermodynamic pKBH+ values were evaluated graphically as an intercept with extrapolation to zero ionic strength of the curve which represents dependence of ionization constants on square root of ionic strength. The obtained results showed that there are no significant differences in the values of thermodynamic dissociation constants of investigated hydrazones with no substituent and metoxy group (–OCH3) on hydrazide part of the molecule. The differences in the pKBH+ values were noticed for hydrazones with nitro group (–NO2) on the benzene ring of benzaldehyde. Nitro hydrazones have lower pKBH+ values, probably due to the influence of the −NO2 group present in their molecule. The obtained pKBH+ values were in accordance with those for similar class of compounds. QSAR study has been made by correlation thermodynamic ionization constants with structure using various physicochemical parameters.
Publisher: Faculty of Technology Tuzla
Relation: Technologica Acta
Identifier: oai:repository.ukim.mk:20.500.12188/24066
Identifier: http://hdl.handle.net/20.500.12188/24066Identifier: 10.5281/zenodo.6922018
