Computation of spectral parameters for the complexation of Pr(III) with L-Histidine through 4f-4f transition spectra: Further analysis of its kinetic and thermodynamic parameters

Abstract

The interaction of Pr(III) with L-Histidine has been analysed through 4f-4f transition spectra in different solvents. Mode of binding of Pr(III) with L-Histidine is interpreted considering the variations in evaluated values of intensity parameters like oscillator strength (P) and Judd Ofelt electric dipole intensity parameters ‘Tλ’ (λ = 2,4,6). Energy interaction parameters like Slater–Condon (Fk's), Lande factor (ξ4f), Racah energy (Ek), nephelauxetic effect (β), bonding (b1/2) and percent covalency (δ). It is further studied through kinetics, subsequently activation energy (Ea), pre-exponential factor (A), specific rate constant/rate constant (k) and thermodynamic parameters viz, ΔH°, ΔG°, ΔS° etc., has been evaluated from which detailed thermodynamical information for the complexation of Pr(III) with L-Histidine in DMF solvent can be explored. Solution spectral studies through kinetic approach could provide pertinent information about the mechanism, reaction pathways, and also about the mode of chemical bond.

Keywords

• Oscillator Strength
• Judd-Ofelt
• L-Histidine
• Slater–Condon
• Thermodynamics