Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides

Ercules E. S. Teotonio, Hermi F. Brito, Gilberto F. de Sa, Maria Claudia F. C. Felinto, Regina Helena A. Santos, Rodolfo Moreno Fuquen, Israel F. Costa, Alan Kennedy, Denise Gilmore, Wagner M. Faustino

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Abstract

The synthesis and photoluminescent properties of Ln(III)-thenoyltrifluoroacetonate and dibenzoylmethanate complexes (Ln = Eu(III) and Gd(III) ions) containing tertiary amides such as dimethylacetamide (DMA), dimethylformamide (DMF), and dimethylbenzamide (DMB) as neutral ligands are reported. The Ln complexes were characterized by elemental analysis, complexometric titration with EDTA, and infrared spectroscopy. Single-crystal X-ray structure data of the [Eu(DBM)(3).(DMA)] compound indicates that this complex crystallizes in the triclinic system, space group PT with the following cell parameters: a = 10.2580(3) angstrom, b = 10.3843(2) angstrom, c= 22.3517(5) angstrom, alpha = 78.906(2)degrees, beta = 78.049(2)degrees, lambda= 63.239(2)degrees, V= 2066.41(9) angstrom(3), and Z = 2. The coordination polyhedron for the Eu(III) complex may be described as an approximate C-2v distorted monocapped trigonal prism. The optical properties of the Eu(III) complexes were studied based on the intensity parameters and luminescence quantum yield (q). The values of the ohm(2) parameter of the Eu-DBM complexes are larger than those for the Eu-TTA complexes, indicating that the Eu(III) ion is in a more polarizable chemical environment in the former case. The geometries of the complexes have been optimized by using the Sparkle Model, and the results have been used to perform theoretical predictions of the ligand-to-metal energy transfer via direct and exchange Coulomb mechanisms.

Original languageEnglish
Pages (from-to)58-67
Number of pages10
JournalPolyhedron
Volume38
Issue number1
DOIs
Publication statusPublished - 11 May 2012

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Keywords

  • Europium
  • β-Diketonate
  • tertiary amides
  • crystalline structures
  • luminescence quantum yield

Cite this

Teotonio, E. E. S., Brito, H. F., de Sa, G. F., Felinto, M. C. F. C., Santos, R. H. A., Fuquen, R. M., ... Faustino, W. M. (2012). Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides. Polyhedron, 38(1), 58-67. https://doi.org/10.1016/j.poly.2012.02.010