An Easy and Fast Experiment for the Determination of the Equilibrium Constants of an Acid-Base Pair, Free and Complexed with a Molecular Receptor

2000 ◽  
Vol 77 (9) ◽  
pp. 1215
Author(s):  
Elena Junquera ◽  
Emilio Aicart
1982 ◽  
Vol 47 (10) ◽  
pp. 2676-2691 ◽  
Author(s):  
Miroslav Macka ◽  
Vlastimil Kubáň

The optical and acid-base characteristics of BrPADAP and ClPADAP were studied in mixed water-ethanol and water-DMF media and in 10% ethanol medium in the presence of cationic, anionic and nonionic tensides. The composition, optical characteristics, molar absorption coefficients and equilibrium constants of the ML and ML2 complexes with zinc(II) ions were found by graphical analysis and numerical interpretation of the absorbance curves by the modified SQUAD-G program. Optimal conditions were found for the spectrophotometric determination of Zn(II) in the presence of 0.1% Triton X-100 or 1% Brij 35 in alkaline media with pH = 6.5-10. BrPADAP and ClPADAP are the most sensitive reagents (ε = 1.3-1.6 . 105 mmol-1 cm2 at 557 and 560 nm, respectively) for the determination of zinc with high colour contrast of the reaction (Δλ = 104 nm) and selectivity similar to that for the other N-heterocyclic azodyes (PAN, PAR, etc.).


2005 ◽  
Vol 70 (1) ◽  
pp. 67-78 ◽  
Author(s):  
Mirjana Vojic ◽  
Gordana Popovic ◽  
Dusan Sladic ◽  
Lidija Pfendt

The acid-base equilibria of a diprotic, slightly hydrosoluble base ketoconazole were studied in homogeneous and heterogeneous water systems. The determinations were performed at 25?C at a constant ionic strength of M(NaCl). The acidity constant Ka1 was determined by potentiometric (pKa1 3.20) and spectrophotometric (pKa1 3.26) methods. A pKa2 constant of 6.10 was obtained based on the equilibrium constants pKs0 4.84 and pKs1 -1.26, determined in a heterogeneous ketoconazole system. The obtained values of the constants served to calculate the solubility and the distribution of the equilibrium forms of ketoconazole as a function of pH. On the basis of the distribution of the equilibrium forms of ketoconazole, a spectrophotometric method for the determination of its content in commercial tablets was developed. The determinations were performed at 225 nm in 0.1 M HCl. The method is simple and rapid and enables the direct spectrophotometric determination of the content of ketoconazole without previous isolation.


Molecules ◽  
2019 ◽  
Vol 24 (22) ◽  
pp. 4084 ◽  
Author(s):  
Anna Irto ◽  
Paola Cardiano ◽  
Salvatore Cataldo ◽  
Karam Chand ◽  
Rosalia Maria Cigala ◽  
...  

The acid–base properties of two bifunctional 3-hydroxy-4-pyridinone ligands and their chelating capacity towards Zn2+, an essential bio-metal cation, were investigated in NaCl aqueous solutions by potentiometric, UV-Vis spectrophotometric, and 1H NMR spectroscopic titrations, carried out at 0.15 ≤ I/mol −1 ≤ 1.00 and 288.15 ≤ T/K ≤ 310.15. A study at I = 0.15 mol L−1 and T = 298.15 K was also performed for other three Zn2+/Lz− systems, with ligands belonging to the same family of compounds. The processing of experimental data allowed the determination of protonation and stability constants, which showed accordance with the data obtained from the different analytical techniques used, and with those reported in the literature for the same class of compounds. ESI-MS spectrometric measurements provided support for the formation of the different Zn2+/ligand species, while computational molecular simulations allowed information to be gained on the metal–ligand coordination. The dependence on ionic strength and the temperature of equilibrium constants were investigated by means of the extended Debye–Hückel model, the classical specific ion interaction theory, and the van’t Hoff equations, respectively.


2010 ◽  
Vol 26 (08) ◽  
pp. 2109-2114 ◽  
Author(s):  
ZHANG Wei-Min ◽  
◽  
YANG Zhen-Dong ◽  
LIU Jia ◽  
SUN Zhong-Xi

1996 ◽  
Vol 50 (10) ◽  
pp. 1290-1294 ◽  
Author(s):  
D. Escolar ◽  
Ma R. Haro ◽  
A. Saucedo ◽  
J. Ayuso ◽  
A. Jimenez ◽  
...  

A method has been developed for the determination of acid-base equilibrium constants, which is applicable to compounds that absorb in the visible. The tristimulus (X, Y, Z) and the colorimetric coordinate values ( L, a, b) of the chromatic space CIELAB 1976 are calculated by means of the transmittances of the entire spectral range. The curves, in the a,b plane, of chromatic differences vs. pH intersect at a pH value agreeing with the p Ka; this configuration occurs because a chromatic equilibrium of both species takes place at this point, which corresponds to the chemical equilibrium. With this method, the acidity constants are found easily and quickly, and they yield very good results. The validity of the method has been tested with the acid-base indicator bromophenol blue, obtaining p Ka= 3.943 at 25 °C; this result is compared with those obtained through the usual spectrophotometric methods. Also, thermodynamic magnitudes obtained from p Ka values at different temperatures from 20 to 70 °C have been determined, resulting in Δ H0 = -(13.93 ± 0.88) kj mol−1 Δ S0 = -(122.6 ± 2.8) J K−1 mol−1.


1983 ◽  
Vol 48 (1) ◽  
pp. 52-59 ◽  
Author(s):  
Vlastimil Kubáň ◽  
Miroslav Macka

The composition, optical characteristics, molar absorption coefficients and equilibrium constants of the reactions of formation of the ML and ML2 complexes of both reagents with cadmium(II) ions were determined by graphical analysis and numerical interpretation of the absorbance-pH curves by the modified SQUAD-G program. Optimal conditions were proposed for the spectrophotometric determination of Cd in 10% v/v ethanol medium in the presence of 0.1% w/v Triton X-100 or 1% w/v Brij 35. BrPADAP and ClPADAP are the most sensitive spectrophotometric reagents for the determination of cadmium(II) ions (ε = 1.28-1.44 . 105 mmol-1 cm2 at 560 nm and pH 8.0-9.5) with a high colour contrast in the reaction (Δλmax ~117 nm) and a selectivity similar to that of other N-heterocyclic azodyes (PAR, PAN, etc.).


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