Absorption spectral study for the interaction of Pr(III) with L-Aspartic acid in various aquated organic solvents through 4f-4f transition spectra: Analysis of reaction pathways and thermodynamic parameters

Abstract

The interaction of Praseodymium (III) with L-Aspartic Acid has been analysed theoretically through 4f-4f transition in various aquated organic solvents (DMF, ACN, Dioxane and methanol). Spectral parameters such as: Energy interaction parameters like Slater–Condon (Fk's), Lande factor (ξ4f), Racah energy (Ek), nephelauxetic effect (β), bonding (b1/2) and percent covalency (δ), as well as intensity parameters: oscillator strength 'P' and Judd–Ofelt Tλ (λ=2,4,6) were evaluated. The degree of outer and inner sphere coordination, the level of metal 4f-4f orbital involvement in the complexation, defining the immediate coordination environment around the metal Pr(III), and the coordination number of the complex formed could be revealed through the analysis of these spectral parameters. The rate of complexation for Pr(III) with L-Aspartic acid and consequently its thermodynamic parameters have been evaluated through 4f-4f transition spectra.