Computation of energy interaction and intensity parameters for the complexation of Pr(III) with glutathione at different pH in the presence/absence of Mg2+: 4f-4f transition spectra as a probe

Ziekhrü, Mhasiriekho; Thakro, Zevivonü; Imsong, Chubazenba; Sanchu, Juliana; Devi, M.

doi:10.1016/j.poly.2021.115099

Cited by 6 publications

(1 citation statement)

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“…While analysing the comparison in the absorption spectra of Pr(III): amino acids complex quantitatively, we discovered some interesting structural information about the amino acid molecule, including its coordinating sites [9]. When Pr(III) binds to amino acids, the energies of 4f-4f bands shifts, reducing the energy interaction parameters such as Fk, ξ4f and Ek of 4f-4f electronic transitions [10]. Amino acids contain amine and carboxylic acid functional groups and can modify the form and size of buoyant materials while maintaining the -R group (side chains) [11].…”

Section: Introductionmentioning

confidence: 99%

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

2022

pnr

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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.

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Section: Introductionmentioning

confidence: 99%