Synthesis, structure study, first-principles investigations and luminescence properties of europium and terbium complexes
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Journal of Fluorescence
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The 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.
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ALI, BAKHAT; STEFANI, HELIO A.; IMRAN, MUHAMMAD; IRFAN, AHMAD; ASSIRI, MOHAMMED A.; FELINTO, MARIA C.F.C.; KHALID, MUHAMMAD; AL-SEHEMI, ABDULLAH G. Synthesis, structure study, first-principles investigations and luminescence properties of europium and terbium complexes. Journal of Fluorescence, v. 30, n. 6, p. 1345-1355, 2020. DOI: 10.1007/s10895-020-02613-z. Disponível em: http://200.136.52.105/handle/123456789/31616. Acesso em: 30 Dec 2025.
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