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

Research output: Contribution to journalArticle

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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.

LanguageEnglish
Pages58-67
Number of pages10
JournalPolyhedron
Volume38
Issue number1
DOIs
Publication statusPublished - 11 May 2012

Fingerprint

Amides
amides
Ligands
Ions
Dimethylformamide
Ethylenediaminetetraacetic acid
Quantum yield
Prisms
Titration
Edetic Acid
Energy transfer
Luminescence
Infrared spectroscopy
ligands
data structures
Optical properties
ethylenediaminetetraacetic acids
Metals
Single crystals
polyhedrons

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
Teotonio, Ercules E. S. ; Brito, Hermi F. ; de Sa, Gilberto F. ; Felinto, Maria Claudia F. C. ; Santos, Regina Helena A. ; Fuquen, Rodolfo Moreno ; Costa, Israel F. ; Kennedy, Alan ; Gilmore, Denise ; Faustino, Wagner M. / Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides. In: Polyhedron. 2012 ; Vol. 38, No. 1. pp. 58-67.
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Teotonio, EES, Brito, HF, de Sa, GF, Felinto, MCFC, Santos, RHA, Fuquen, RM, Costa, IF, Kennedy, A, Gilmore, D & Faustino, WM 2012, 'Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides' Polyhedron, vol. 38, no. 1, pp. 58-67. https://doi.org/10.1016/j.poly.2012.02.010

Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides. / Teotonio, Ercules E. S.; Brito, Hermi F.; de Sa, Gilberto F.; Felinto, Maria Claudia F. C.; Santos, Regina Helena A.; Fuquen, Rodolfo Moreno; Costa, Israel F.; Kennedy, Alan; Gilmore, Denise; Faustino, Wagner M.

In: Polyhedron, Vol. 38, No. 1, 11.05.2012, p. 58-67.

Research output: Contribution to journalArticle

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T1 - Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides

AU - Teotonio, Ercules E. S.

AU - Brito, Hermi F.

AU - de Sa, Gilberto F.

AU - Felinto, Maria Claudia F. C.

AU - Santos, Regina Helena A.

AU - Fuquen, Rodolfo Moreno

AU - Costa, Israel F.

AU - Kennedy, Alan

AU - Gilmore, Denise

AU - Faustino, Wagner M.

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N2 - 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.

AB - 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.

KW - Europium

KW - β-Diketonate

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KW - crystalline structures

KW - luminescence quantum yield

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Teotonio EES, Brito HF, de Sa GF, Felinto MCFC, Santos RHA, Fuquen RM et al. Structure and luminescent investigation of the Ln(III)-beta-diketonate complexes containing tertiary amides. Polyhedron. 2012 May 11;38(1):58-67. https://doi.org/10.1016/j.poly.2012.02.010