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dc.contributor.authorGhosh, Ayan
dc.contributor.authorPandey, Amit
dc.contributor.authorSengupta, Arijit
dc.contributor.authorKathirvelu, V.
dc.contributor.authorHarmalkar, S.S.
dc.contributor.authorDhuri, S.N.
dc.contributor.authorSingh, K.S.
dc.contributor.authorGhanty, T.K.
dc.date.accessioned2023-12-10
dc.date.accessioned2023-12-10T13:28:28Z
dc.date.available2023-09-11
dc.date.available2023-12-10T13:28:28Z
dc.date.issued2023
dc.identifier.citationInorganic Chemistry, vol.62(36); 2023; 14678-14693
dc.identifier.issn0020-1669
dc.identifier.otherhttps://pubs.acs.org/doi/10.1021/acs.inorgchem.3c01963
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.3c01963
dc.identifier.urihttp://drs.nio.res.in/drs/handle/2264/9115
dc.descriptionIF(JCR2023) = 4.6
dc.description.abstractNovel amide ligands in the ionic liquid (1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide) were utilized for the liquid-liquid biphasic mass transfer of Eu3+ ions from aqueous acidic waste solution. The cation exchange mechanism was found to be operative with the formation of [Eu(NO3)2L3]+ species (L = 4-chloro-N-(1-methyl-1H-pyrazol-3-yl)picolinamide). However, the presence of an inner-sphere water molecule was revealed by density functional theory (DFT) calculations. The viscosity-induced slower kinetics was evidenced during mass transfer, which was improved by increasing temperature. The process was exothermic in nature. The improvement in the kinetics of extractive mass transfer at higher temperatures is evinced by a reduction in the distribution ratio value. The spontaneity of the reaction was evidenced through the negative Gibbs free energy value, whereas the process enhances the entropy of the system, probably by releasing water molecules at least partially during complexation. The structures of bare ligands and complexes have been optimized by using DFT calculations. A high value of complexation energy, solvation energy, and associated enthalpy and free energy change reveal the efficacy in binding Eu with O and N donor atoms. In addition, natural population analysis, atoms-in-molecules analysis, and energy decomposition analysis have been employed to explore the nature of bonding existing in Eu-O and Eu-N bonds
dc.languageen
dc.publisherAmerican Chemical Society
dc.relation.isreferencedbySCI
dc.rightsOnly the author version of the copright reserved papers uploaded. Contact drs@nio.org for any complaints regarding copyright violations
dc.titleExperimental and theoretical investigation on the extractive mass transfer of eu3+ ions using novel amide ligands in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
dc.typeJournal Article
dc.affiliation.authorLaser and Plasma Technology Division, Beam Technology Development Group, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India


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