Abstrakt: |
Herein, we delineate the complexation of Pr3+ with L-phenylalanine in the presence/absence of Mg2+ by computing the absorption spectral parameters, such as the energy interaction parameters: Slater–Condon factor (Fk), Lande spin–orbit interaction (ξ4f), Racah (Ek), percent covalency (δ), bonding parameter (b1/2), and nephelauxetic ratio (β), as well as the intensity parameters: oscillator strength (P) and Judd–Ofelt intensity parameters Tλ (λ = 2, 4, 6) in various aqueous solutions of CH3CN, DMF, CH3OH, and C4H8O2 at pH 4. The results of the interaction of metal with ligand, studied through 4f–4f transition spectra, were clearly shown by the variations in the calculated values of the intensity as well as energy interaction parameters. Pre-exponential factor (A), activation energy (Ea), rate constant (k), and thermodynamic parameters: ΔSº, ΔGº, and ΔHº have been computed to analyze the reaction strategies as well as the thermodynamic properties of the complexation process of the metal (Pr3+) with ligands (L-phenylalanine and Mg2+). [ABSTRACT FROM AUTHOR] |