Computational study of multimetal complexation of Nd(III) with GSH and Mg(II) in solution at different pH through 4f-4f transition spectra

Abstract

Nd(III) complexes with GSH and Mg(II) have been studied using 4f-4f absorption spectrophotometry in different aquated organic solvents(50/50) in dioxane, methanol, acetonitrile and DMF. The mode of binding of Nd(III) with GSH and Mg(II) at pH 2, 4, 6 was also investigated. The binding behaviour of Nd(III) with GSH and Mg(II) along with the solvent and pH effect have been evaluated by using the computed energy interaction parameters like Slater-Condon (Fk, k = 2, 4, 6), Lande spin-orbit interaction (ξ4f), nephelauxetic ratio (β), bonding (b1/2) and percent covalency (δ).

Keywords

• Lanthanide
• 4f-4f transition
• Glutathione
• Nephelauxetic effect
• Pseudo-hypersensitivity