In this study, our aim is to calculate the acidity constant (pKa) of some 1,2,4-triazole derivatives.
The acidity constant, Ka, can be calculated by using Eq.3
Summary: In this study, there are eight 1,2,4-triazole derivative compounds whose acidity constants were determined by computational chemistry methods (PM6, HF/6-31Gd, M06-2X/6-31Gd) in the gas and water phases.
The inner-layer capacitance of the surface acidity constant must be determined.
The evaluation of the surface properties of titanium pyrophosphate was carried out determining (a) the surface roughness and (b) the surface acidity constants [K.sup.+] and [K.sup.-]).
They organized the material along the same outline as well, discussing the formation and properties of gibbsite, describing the experimental data that constrain surface-complexation models and the procedure followed to extract model constants from the data, examining the potentiometric titration data fitting and surface acidity constant
extraction for gibbsite, presenting the available cation and anion sorption data for gibbsite and the results of fitting the data with the generalized model, and investigating linear free energy relationships for identifying trends in sorption data and predicting surface-complexation constants for conditions not yet studied experimentally.
Hutton and Irving found that the acidity constant of 3-Carboxymethylthio -1,5- diphenylformazan was 12.48 .
Keywords: Formazan, acidity constants, acetonitrile-water mixtures, spectroscopic method.
And given the complexity of the real system, it was decided to calculate the experimental acidity constants of the anthocyanin purified by the proposed method.
However, it was observed that the color change was not reversible in solutions with a pH 8 or more, thus these data were not considered in acidity constants calculations.
Sanchooli, "Evaluation of acidity constants
and evolution of electronic features of phenol derivatives in different compositions of methanol/water mixture," Journal of Chemistry, vol.
These may complicate matter further by absorbing the acids, however it is still possible to predict the behaviour of the system if all the acidity constants
, partition coefficients and the overall composition are known.