An explicit application of isodesmic reaction (a proton exchange between the studied and similar in structure reference molecule), where the free energy change of the protonation reaction in water was obtained using the free energies in solution from a single continuum model, was used to predict stepwise protonation constants of nitrilotriacetic acid. Calculations were performed at the RB3LYP/6...

The stability constants and complexation reaction between L-glutamine, L-arginine andglycine with Zn (II) , Co (II) and Ni (II) were studied potentiometrically in aqueous solution at25° C and μ=0.1 M KNO3. The overall stability constants log β´s of all species are obtained bycomputer refinement of pH-volume data using BEST computer program. Several models weretested and the lowest δFIT, the bes...

In this research complexation of dioxovanadium(V) with nitrilotriacetic acid (NTA) at differentionic strengths (0.1 to 1.0 mol dm-3) of sodium perchlorate as supporting electrolyte and pH rangeof 1.00-2.50 at 25 °C has been investigated by a combination of potentiometric and UVspectrophotometric measurements. Stability constants of two species, V0211L- and VO2H2L havebeen calculated. Ionic stre...

We present a theory of the complexation of polyanions by divalent cations. The formation of both mono-and dicomplexes is possible. Monocomplexation locally inverts the charge of the polyelectrolyte and transforms it into a polyampholyte. The formation of a dicomplex creates a bridge between charged monomers. The complexation constants for mono and dicomplexation strongly decrease at high ionic ...

The protonation constants of new group of peptidomimetic cyclophanes with valine or phenylalanine moieties incorporated into the macrocyclic skeleton as well as their linear analogues were determined by potentiometric measurements in solutions of methanol-water mixtures at 25°C and constant ionic strength. The influence of cavity size, location of protonation sites, and attached substituents of...

in this research complexation of dioxovanadium(v) with nitrilotriacetic acid (nta) at differentionic strengths (0.1 to 1.0 mol dm-3) of sodium perchlorate as supporting electrolyte and ph rangeof 1.00-2.50 at 25 °c has been investigated by a combination of potentiometric and uvspectrophotometric measurements. stability constants of two species, v0211l- and vo2h2l havebeen calculated. ionic stre...

The protonation constants of L-Aspartic acid have been studied pH-metrically in various concentrations (0-60% v/v) of acetonitrile- and ethylene glycol-water mixtures maintaining an ionic strength of 0.16 mol L-1 at 303K. The protonation constants have been calculated with the computer program MINIQUAD75 and are selected based on statistical parameters. Linear variation of step-wise protonation...

The stability of coordination compounds metal ions with ligands is fundamental importance for elaborating upon practical sensors the detection and quantification in environmental samples. In this work, constants silver(I) complexes 2-mercaptoimidazole (2MI) a mixed water–dimethyl sulfoxide (DMSO) solvent were determined at 298.15 K 308.15 K. It was found that increasing temperature, decreases. ...

the complexation reaction between 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane (kryptofix5) ligand with zn2+, ni2+, co2+, pb2+, mn2+ and cu2+ ions were studied conductometrically in different acetonitrile-nitromethane (an-nm) and acetonitrile-methanol (an-meoh) mixtures. the formation constants of the resulting 1:1 complexes were calculated from the computer fitting of the molar conductan...