Geometrical structure and potentiometric studies of 5-chloro-2,3-dihydroxy pyridine azo derivatives and their metal complexes

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

“…(ii) Positive values of ΔH indicate that dissociation is accompanied by absorption of heat and the process is endothermic. (iii) Large positive values of ΔG indicate that the dissociation process is not spontaneous [2,35]. (iv) Negative values of ΔS are due to increased order as the result of the solvation processes.…”

“…It is known that the divalent metal ions exist in solution as octahedral hydrated species [3,35] and the obtained values ΔH and ΔS can then be considered as the sum of two contributions: (a) release of H 2 O molecules and (b) metal-ligand bond formation. Examination of these values shows that:…”

“…(i) The stability constants (log K 1 and log K 2 ) for the rhodanine azodye complexes increase with increasing temperature [3,35]. (ii) The stability constants of Mn(II), Co(II), Ni(II) and Cu(II) complexes were increased with increasing atomic number in the order of Cu(II) N Ni(II) N Co(II) N Mn(II) at constant temperature as shown in Fig.…”

Synthesis, spectroscopic characterization, catalytic and antibacterial studies of ruthenium(III) Schiff base complexes

“…The molecular structures of the investigated compounds were optimized by HF method with 3-21G basis set. The molecules were built with the Perkin Elmer ChemBio Draw and optimized using Perkin Elmer ChemBio3D software [15].…”

“…The calculated quantum chemical parameters are given in Table 2. Additional parameters such as 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 , have been calculated [15] according to the following Eqs. (1)- (8):…”