Novel Luminescent Eu<sup>3+</sup>-Indandionate Complexes Containing Heterobiaryl Ligands

Filho, J. B.; Silva, Jannine C.; Vale, Juliana A.; Brito, Hermi F.; Faustino, Wagner M.; Espı́nola, José G.P.; Felinto, M.C.F.C.; Teotonio, Ercules E.S.

doi:10.5935/0103-5053.20140197

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“…Additional data of monoelectronic excitations for [Eu(β-dik) 3 (RcBPO)] complexes can be found in Supporting Information (Tables S6–S15). As can be observed in Table , the positions of T 1 states are close to those found for other ternary complexes with these diketonate ligands. , The S 1 states exhibit higher energys values than those previously reported in the literature for other Ln(III) complexes but exhibit a similar trend in the molecular orbital composition being related to the main ligand moieties. ,,,, In addition, the donor–acceptor distances ( R L , appearing in eqs S1–S3) between S 1 and T 1 excited states and the Eu(III) ion in the complexes were also determined from the molecular orbital compositions (Figure ), according to the procedure described by Moura, Carneiro Neto, and co-workers. , …”

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confidence: 81%

Enhancing the Luminescence of Eu(III) Complexes with the Ruthenocene Organometallic Unit as Ancillary Ligand

et al. 2022

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Five novel Eu(III)-β-diketonate complexes containing ruthenocene ancillary ligands (1,1′-bis(diphenylphosphoryl)-ruthenocene�RcBPO) were synthesized and characterized. The coordination compounds presented the general formula [Eu(βdik) 3 (RcBPO)], where β-dik stands for 2-thenoyltrifluoroacetonate (tta), 3-benzoyl-1,1,1-trifluoroacetone (btf), 2-dibenzoylmethanate (dbm), 2-acetyl-1,3-indandionate (aind), and 2-benzoyl-1,3-indandionate (bind), and RcBPO stands for 1,1′-bis-(diphenylphosphoryl)ruthenocene. The [Eu(aind) 3 (RcBPO)] complex crystallizes in a monoclinic Cc non-centrosymmetric space group with the europium site environment, assuming a bicapped trigonal prism coordination polyhedron with the symmetry point group close to C 2v . Photoluminescent properties for the solid-state samples were described in terms of excitation, emission, lifetime decay curves, and intrinsic and overall quantum yields. The replacement of the two coordinated H 2 O molecules by the RcBPO ancillary ligand leads to great enhancements of the overall quantum yields (Q Eu L ), with the minimum increment by a factor of 5 for the case of [Eu(btf) 3 (RcBPO)] and the maximum enhancement of 270 times for the case of the [Eu(dbm) 3 (RcBPO)] complex. In addition, theoretical calculations were carried out to model the spectroscopic properties of the investigated compounds. To obtain theoretical Judd−Ofelt parameters (Ω λ , λ = 2, 4, and 6) and intramolecular energy transfer rates, the JOYSpectra web platform was employed using the structure obtained from density functional theory calculations. Hence, a rate equation model provided theoretical overall quantum yields, which are in great agreement with measured data.

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