Synthesis, structure study, first-principles investigations and luminescence properties of europium and terbium complexes

dc.creatorALI, BAKHAT
dc.creatorSTEFANI, HELIO A.
dc.creatorIMRAN, MUHAMMAD
dc.creatorIRFAN, AHMAD
dc.creatorASSIRI, MOHAMMED A.
dc.creatorFELINTO, MARIA C.F.C.
dc.creatorKHALID, MUHAMMAD
dc.creatorAL-SEHEMI, ABDULLAH G.
dc.date2020
dc.date2020-12-09T17:49:24Z
dc.date2020-12-09T17:49:24Z
dc.date.accessioned2023-09-28T14:17:05Z
dc.date.available2023-09-28T14:17:05Z
dc.identifier1053-0509
dc.identifierhttp://200.136.52.105/handle/123456789/31616
dc.identifier6
dc.identifier30
dc.identifier10.1007/s10895-020-02613-z
dc.identifier0000-0001-7028-0878
dc.identifier27.89
dc.identifier45.00
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/9001839
dc.descriptionThe synthesis of 1-benzyl-2-((2-Aminoethyl) amino)-5-oxopyrrolidine-3,4-diyl diacetate (boad), an oxopyrrolidine type ligand; designed to coordinate lanthanides (Eu3+ and Tb3+) to get luminescent material. The target complexes showed good photoluminescence properties, which indicate that this type of compound can be used as sensitizers having luminescence for the green (Tb3+) and red (Eu3+) emission. The obtained results revealed that sensitizer efficiency can be improved by adding ligands like acac (Eu(acac)3, which has also enhanced the luminescence quantum output and period for Eu3+ ions. The ground state geometries were developed by using density functional theory at B3LYP/6-31G** level. The charge transfer analysis and electronic properties were performed. The Europium and Terbium complexes formation with boad ligand was explored based on molecular electrostatic potential, MDC-q charges, and frontier molecular orbitals (FMOs) analysis.
dc.format1345-1355
dc.relationJournal of Fluorescence
dc.rightsopenAccess
dc.subjectsynthesis
dc.subjecteuropium complexes
dc.subjectterbium complexes
dc.subjectluminescence
dc.subjecttartaric acid
dc.subjectpyrrolidines
dc.subjectrare earths
dc.subjectphotoluminescence
dc.subjectdensity functional method
dc.subjectnmr spectra
dc.titleSynthesis, structure study, first-principles investigations and luminescence properties of europium and terbium complexes
dc.typeArtigo de peri??dico
dc.coverageI


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