Synthesis and Complexation Properties of 2-Hydroxy-5-methoxyphenylphosphonic Acid (H3L1). Crystal Structure of the [Cu(H2L1)2(Н2О)2] Complex

2-Hydroxy-5-methoxyphenylphosphonic acid (H3L1) and the complex [Cu(H2L1)2(H2O)2] were synthesized and characterized by IR spectroscopy, thermogravimetry, and X-ray diffraction analysis. The polyhedron of the copper atom is an axially elongated square bipyramid with oxygen atoms of phenolic and of monodeprotonated phosphonic groups at the base and oxygen atoms of water molecules at the vertices. The protonation constants of the H3L1 acid and the stability constants of its Cu2+ complexes in water were determined by potentiometric titration. The protonation constants of the acid in water are significantly influenced by the intramolecular hydrogen bond and the methoxy group. The H3L1 acid forms complexes CuL‒ and CuL24‒ with Cu2+ in water.

Effect of Solvent on Protonation Equilibria of L-Serine and L-Tryptophan in Ethylene Glycol-Water Mixtures

Protonation equilibria of L-serine and L-tryptophan in varying compositions (0.0-50.0 % v/v) of ethylene glycol-water mixtures were investigated pH-metrically. Titrations were performed at 303.0 K and the ionic strength of the medium was maintained at 0.16 mol L-1 using sodium chloride. The protonation constants have been calculated with the computer program MINIQUAD 75 and are selected based on statistical parameters. The best fit chemical models of the protonation equilibria were based on crystallographic R-factor, χ2, skewness and kurtosis. The protonation constants of L-serine and L-tryptophan change linearly with increasing ethylene glycol content. This is attributed to the dielectric constant of the medium.

Determination of Protonation Constants of Viral Inhibitor, Aurintricarboxylic Acid in SDS and CTAB Micellar Media: A Potentiometric Study

Protonation constants of a viral inhibitor, aurintricarboxylic acid were determined using potentiometric method of data acquisition followed by chemometric modelling methods of analysis in the presence of two different kinds of micellar media, CTAB, a cationic micelle and SDS, an anionic micelle. MINIQUAD75 program was used for the determination of the plausible species and their corresponding formation constants at 303 ± 0.1 K and 0.01 M ionic strength. Five formation constants were identified corresponding to five ionizable hydrogens. Species concentration distribution diagrams were generated using Origin software. Best-fit chemical models were selected on the basis of statistical parameters like standard deviation (SD), U (sum of the squares of the residuals in mass balance equations) and chi-square test. It was found that the formation constants are lower in CTAB micellar medium while there is no significant change in the presence of SDS compared to aqueous medium.

Solvent Effects on Protonation Constants of Betanin in Different Aqueous Solutions of Methanol at T = 25 ºC

The protonation constants of the betanin (pKa1, pKa2, and pKa3) were determined in mixed solvent of water and methanol containing 0, 10, 20, 30, 40, 50, 60, 70, and 80 % (v/v) methanol, using a combination of the spectrophotometric and potentiometric methods at T = 25 ºC and constant ionic strength (0.1 mol.dm-3 NaClO4). The obtained protonation constants were analyzed using Kamlet, Abboud, and Taft parameters. KAT parameters are α (hydrogen-bond donor acidity), β (hydrogen-bond acceptor basicity), and π* (dipolarity/polarizability). In this study, a good linear relationship was obtained between protonation constants (on the logarithmic scale) and dielectric constant (ɛ) of the water-methanol mixed solvents. It was found that the dual-parameter correlation between log10K,s and π*, β give us the best result in various volume fractions of methanol for water-methanol mixed solvent. Finally, the results are discussed in terms of the effect of the solvent on the protonation constants. Resumen. Las constantes de protonación de la betanina (pKa1, pKa2 y pKa3) se determinaron en un disolvente mixto de agua y metanol que contenía metanol al 0, 10, 20, 30, 40, 50, 60, 70 y 80% (v / v), utilizando una combinación de los métodos espectrofotométricos y potenciométricos a T = 25 ºC y fuerza iónica constante (0,1 mol.dm-3 NaClO4). Las constantes de protonación obtenidas se analizaron utilizando los parámetros de Kamlet, Abboud y Taft. Los parámetros KAT son α (acidez del donante de enlaces de hidrógeno), β (basicidad del aceptor de enlaces de hidrógeno) y π* (dipolaridad / polarizabilidad). En este estudio, se obtuvo una buena relación lineal entre las constantes de protonación (en la escala logarítmica) y la constante dieléctrica (ɛ) de los disolventes mixtos agua-metanol. Se encontró que la correlación de doble parámetro entre log10K, s y π*, β nos da el mejor resultado en varias fracciones de volumen de metanol para el disolvente mixto agua-metanol. Finalmente, los resultados se discuten en términos del efecto del solvente en las constantes de protonación.