Th. David Singh

Studies on the complexation of neodymium(III) ion with 1,2,4-1H-triazole and 1,2,3-benzotriazole in absence and presence of calcium(II) ion in aqueous and some selected different aquated organic solvents by an absorption spectroscopy involving 4f–4f transitions

The absorption spectra of trivalent neodymium ion with 1,2,4-1H-triazole and 1,2,3-benzotriazole in absence and presence of calcium(II) ion in aqueous and some selected different aquated organic solvents have been recorded in the visible and near infrared regions. From the data available in the absorption spectra, various spectroscopic parameters such as Slator-Condon (F(k)), Lande spin-orbit coupling constant (ξ(4f)), nephelauxetic ratio (β), bonding parameter (b(1/2)), percent covalency (δ), oscillator strength (P) and Judd-Ofelt intensity (T(λ)) parameters have been evaluated. The Judd-Ofelt intensity, T(λ) (λ=2, 4, 6) parameters are utilized in evaluating the P(cal) from various excited states of trivalent neodymium ions and ratifying as an inner sphere complexations.

Evaluation of intensity and energy interaction parameters for the complexation of Pr(III) with selected nucleoside and nucleotide through absorption spectral studies

The interactions of Pr(III) with nucleosides and nucleotides have been studied in different organic solvents employing absorption difference and comparative absorption spectrophotometry. The magnitudes of the variations in both energy and intensity interaction parameters were used to explore the degree of outer and inner sphere co-ordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Various electronic spectral parameters like Slater-Condon (F(k)), Racah (E(k)), Lande parameter (ξ(4f)), Nephelauxatic ratio (β), bonding (b(1/2)), percentage covalency (δ) and intensity parameters like oscillator strength (P) and Judd Ofelt electronic dipole intensity parameter (T(λ), λ=2,4,6) have been evaluated. The variation of these evaluated parameters were employed to interpret the nature of binding of Pr(III) with different ligands i.e. Adenosine/ATP in presence and absence of Ca(2+).

Comparative 4f-4f absorption spectral study for the interactions of Nd(III) with some amino acids: Preliminary thermodynamics and kinetic studies of interaction of Nd(III):glycine with Ca(II).

Spectral analysis of Nd(III) complexes with some amino acids viz.; glycine, l-alanine, l-phenylalanine and l-aspartic acid in the presence and absence of Ca(2+) was carried out in some organic solvents; CH(3)OH, CH(3)CN, DMF and dioxane using comparative absorption spectra of 4f-4f transitions. The study was carried out by evaluating various energy interaction parameters like Slator-Condon (F(k)), Lande factor (ξ(4f)), nephelauxetic ratio (β), bonding parameter (b(1/2)), percent-covalency (δ) by applying partial and multiple regression analysis. The values of oscillator strength (P(obs)) and Judd-Ofelt electric dipole intensity parameter T(λ) (λ=2, 4, 6) for different 4f-4f transitions have been calculated. On analysis of the variation of the various energy interaction parameters as well as the changes in the oscillator strength (P(obs)) and T(λ) values, reveal the mode of binding with the different ligands. Kinetic studies for the complexation of Nd(III):glycine:Ca(II) have also been discussed at different temperatures in DMF medium and from it the values of activation energy (E(a)) and thermodynamic parameters like ΔH°, ΔS° and ΔG° for the complexation are evaluated.