Geometrical structure, potentiometric and thermodynamic studies of rhodanine azodye and its metal complexes

Potentiometry and geometrical structure of some azodye compounds and their metal complexes

“…The apparatus, general conditions and methods of calculations were the same as in previous works [17,18]. The following mixtures (i)-(iii) were prepared and titrated potentiometrically at 298 K against standard 0.004 M NaOH in a 40% (by volume) DMF-water mixture:…”

“…Quantum chemical parameters of the ligands (HL I and HL II ) were obtained from calculations including the energies of the highest occupied molecular orbital (E HOMO ) and the lowest unoccupied molecular orbital (E LUMO ) as listed in Table 4. Additional parameters such as HOMO-LUMO energy gap, ΔE ⁎ , absolute electronegativities, χ, chemical potentials, Pi, absolute hardness, η, absolute softness, σ, global electrophilicity, ω, global softness, S, and additional electronic charge, ΔN max , were calculated using the following equations [17,28]:…”

“…(i) The pK H values decrease with increasing temperature, i.e., the acidity of the ligands increases, independent of the nature of the substituent [17,36]. (ii) A positive value of ΔH indicates that the process is endothermic.…”

Stability Constant of Rare Earth Metals with Substituted Thiazoles at 298.15K

“…Studies on complex formation by tripositive rare earth ions with biologically active ligands are in progress because of their role in biochemical processes. The metal complexes with some heterocyclic compounds in aqueous solution has been determined by various authors [10][11][12] . The present work is the continuation of our earlier of metal complexation [13][14] .…”

Geometrical structure, molecular docking, potentiometric and thermodynamic studies of 3-aminophenol azodye and its metal complexes

“…Azo compounds containing heterocyclic moieties have drawn the attention of many researchers [1][2][3][4][5]. It has been well established that the use of heterocyclic amines with oxygen as the π-excessive hetero atom as diazo component has a marked bathochromic effect compared to analogous dyes derived from benzenoid compounds [6].…”