Theoretical study of the heterometal complexation of Pr(III) with L-isoleucine in the presence/absence of Mg(II) in solution: 4f-4f transition spectra as probe

The Judd-Ofelt intensity TA (A=2, 4, 6), oscillator strength (P) and other energy interaction parameters like Slater Condon (FK), Racah (EK), Lande (xi 4f), nephelauxetic ratio (8), bonding (b1/2), percent covalency (o) were evaluated to study the mode of interaction of Pr(III) with L-isoleucine in the presence/ absence of Mg(II) in different aquated organic solvents (DMF, dioxane, methanol and acetonitrile) and also at pH levels 2, 4, 6, using the 4f-4f transition spectra as a probe. The variation in values of both intensity and energy interaction parameters could reveal the formation of a bond among Pr(III), L-isoleucine, and Mg(II). Multimetal complexation among Pr(III) and the ligands were found to be most favourable in DMF solvent and at pH 6.