메뉴 건너뛰기




Volumn 256, Issue , 2013, Pages 29-35

Theoretical tools for the calculation of the photoluminescent properties of europium systems - A case study

Author keywords

Europium; Luminescence; Theoretical methods

Indexed keywords


EID: 84874930884     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotochem.2013.01.016     Document Type: Article
Times cited : (44)

References (51)
  • 2
    • 79952004829 scopus 로고    scopus 로고
    • Integrated X-ray crystallography, optical and computational methods in studies of structure and luminescence of new synthesized complexes of lanthanides with ligands derived from 2,6-diformylpyridine
    • G.M. de Oliveira, A. Machado, G.W. Gomes, J.H.S.K. Monteiro, M.R. Davolos, U. Abram, and A. Jagst Integrated X-ray crystallography, optical and computational methods in studies of structure and luminescence of new synthesized complexes of lanthanides with ligands derived from 2,6-diformylpyridine Polyhedron 30 2011 851 859
    • (2011) Polyhedron , vol.30 , pp. 851-859
    • De Oliveira, G.M.1    MacHado, A.2    Gomes, G.W.3    Monteiro, J.H.S.K.4    Davolos, M.R.5    Abram, U.6    Jagst, A.7
  • 4
    • 79955861237 scopus 로고    scopus 로고
    • Ab initio study of phosphorescent emitters based on rare-earth complexes with organic ligands for organic electroluminescent devices
    • A.Y. Freidzon, A.V. Scherbinin, A.A. Bagaturyants, and M.V. Alfimov Ab initio study of phosphorescent emitters based on rare-earth complexes with organic ligands for organic electroluminescent devices Journal of Physical Chemistry A 115 2011 4565 4573
    • (2011) Journal of Physical Chemistry A , vol.115 , pp. 4565-4573
    • Freidzon, A.Y.1    Scherbinin, A.V.2    Bagaturyants, A.A.3    Alfimov, M.V.4
  • 5
    • 79958170988 scopus 로고    scopus 로고
    • Correlation between structural data and spectroscopic studies of a new β-diketonate complex with trivalent europium and gadolinium
    • J.H.S.K. Monteiro, R.D. Adati, M.R. Davolos, J.R.M. Vicenti, and R.A. Burrow Correlation between structural data and spectroscopic studies of a new β-diketonate complex with trivalent europium and gadolinium New Journal of Chemistry 35 2011 1234 1241
    • (2011) New Journal of Chemistry , vol.35 , pp. 1234-1241
    • Monteiro, J.H.S.K.1    Adati, R.D.2    Davolos, M.R.3    Vicenti, J.R.M.4    Burrow, R.A.5
  • 6
    • 79251594157 scopus 로고    scopus 로고
    • New chelate complexes of trivalent y and lanthanides (Eu, Ho, Yb) with a triazene N-oxide: Synthesis, structural characterization and luminescence properties
    • G.M. de Oliveira, M. Horner, A. Machado, D.F. Back, J.H.S.K. Monteiro, and M.R. Davolos New chelate complexes of trivalent Y and lanthanides (Eu, Ho, Yb) with a triazene N-oxide: synthesis, structural characterization and luminescence properties Inorganica Chimica Acta 366 2011 203 208
    • (2011) Inorganica Chimica Acta , vol.366 , pp. 203-208
    • De Oliveira, G.M.1    Horner, M.2    MacHado, A.3    Back, D.F.4    Monteiro, J.H.S.K.5    Davolos, M.R.6
  • 7
    • 79952438688 scopus 로고    scopus 로고
    • Eu(III) complex luminescence behavior upon chlorine substitution in the 1,10-phenanthroline ligand: A theoretical and experimental study
    • M.F. Belian, H.J. Batista, A.G.S. Bezerra, W.E. Silva, G.F. de Sa, and S. Alves Eu(III) complex luminescence behavior upon chlorine substitution in the 1,10-phenanthroline ligand: a theoretical and experimental study Chemical Physics 381 2011 29 34
    • (2011) Chemical Physics , vol.381 , pp. 29-34
    • Belian, M.F.1    Batista, H.J.2    Bezerra, A.G.S.3    Silva, W.E.4    De Sa, G.F.5    Alves, S.6
  • 10
    • 78049261863 scopus 로고    scopus 로고
    • Synthesis, characterization and spectroscopic investigation of new tetrakis(acetylacetonato)thulate(III) complexes containing alkaline metals as countercations
    • M.A. Guedes, T.B. Paolini, M.C.F.C. Felinto, J. Kai, L.A.O. Nunes, O.L. Malta, and H.F. Brito Synthesis, characterization and spectroscopic investigation of new tetrakis(acetylacetonato)thulate(III) complexes containing alkaline metals as countercations Journal of Luminescence 131 2011 99 103
    • (2011) Journal of Luminescence , vol.131 , pp. 99-103
    • Guedes, M.A.1    Paolini, T.B.2    Felinto, M.C.F.C.3    Kai, J.4    Nunes, L.A.O.5    Malta, O.L.6    Brito, H.F.7
  • 14
  • 15
    • 77956729384 scopus 로고    scopus 로고
    • New homotrinuclear lanthanide complexes: Synthesis, characterization and spectroscopic study
    • W.E. Silva, M.F. Belian, R.O. Freire, G.F. de Sá, and S. Alves New homotrinuclear lanthanide complexes: synthesis, characterization and spectroscopic study Journal of Physical Chemistry A 114 2010 10066 10075
    • (2010) Journal of Physical Chemistry A , vol.114 , pp. 10066-10075
    • Silva, W.E.1    Belian, M.F.2    Freire, R.O.3    De Sá, G.F.4    Alves, S.5
  • 16
    • 79952846013 scopus 로고    scopus 로고
    • 3+-β-diketonate complexes: Comparison of theoretical and experimental photophysical properties
    • 3+-β-diketonate complexes: comparison of theoretical and experimental photophysical properties Dalton Transactions 40 2011 3257 3268
    • (2011) Dalton Transactions , vol.40 , pp. 3257-3268
    • Divya, V.1    Freire, R.O.2    Reddy, M.L.P.3
  • 22
    • 27444447168 scopus 로고    scopus 로고
    • Synthesis and luminescent properties of novel europium(III) heterocyclic β-diketone complexes with Lewis bases: Structural analysis using the sparkle/AM1 model
    • DOI 10.1002/ejic.200500461
    • R. Pavithran, M.L.P. Reddy, S.A. Junior, R.O. Freire, G.B. Rocha, and P.P. Lima Synthesis and luminescent properties of novel europium(III) heterocyclic β-diketone complexes with lewis bases: structural analysis using the sparkle/am1 model European Journal of Inorganic Chemistry 2005 4129 4137 (Pubitemid 41532253)
    • (2005) European Journal of Inorganic Chemistry , Issue.20 , pp. 4129-4137
    • Pavithran, R.1    Reddy, M.L.P.2    Junior, S.A.3    Freire, R.O.4    Rocha, G.B.5    Lima, P.P.6
  • 27
    • 79952581668 scopus 로고    scopus 로고
    • Would the pseudocoordination centre method be appropriate to describe the geometries of lanthanide complexes?
    • D.A. Rodrigues, N.B. da Costa, and R.O. Freire Would the pseudocoordination centre method be appropriate to describe the geometries of lanthanide complexes? Journal of Chemical Information and Modeling 51 2011 45 51
    • (2011) Journal of Chemical Information and Modeling , vol.51 , pp. 45-51
    • Rodrigues, D.A.1    Da Costa, N.B.2    Freire, R.O.3
  • 30
    • 79959342387 scopus 로고    scopus 로고
    • Would the solvent effect be the main cause of band shift in the theoretical absorption spectrum of large lanthanide complexes?
    • R.O. Freire, N.M. Rodrigues, G.B. Rocha, I.F. Gimenez, and N.B. da Costa Junior Would the solvent effect be the main cause of band shift in the theoretical absorption spectrum of large lanthanide complexes? Journal of Molecular Structure 997 2011 30 36
    • (2011) Journal of Molecular Structure , vol.997 , pp. 30-36
    • Freire, R.O.1    Rodrigues, N.M.2    Rocha, G.B.3    Gimenez, I.F.4    Da Costa Junior, N.B.5
  • 32
    • 33644753066 scopus 로고    scopus 로고
    • Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations
    • DOI 10.1007/s00894-005-0027-5
    • R.O. Freire, G.B. Rocha, and A.M. Simas Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations Journal of Molecular Modeling 12 2006 373 389 (Pubitemid 43337175)
    • (2006) Journal of Molecular Modeling , vol.12 , Issue.4 , pp. 373-389
    • Freire, R.O.1    Rocha, G.B.2    Simas, A.M.3
  • 33
    • 19944418511 scopus 로고    scopus 로고
    • Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu(III), Gd(III), and Tb(III)
    • DOI 10.1021/ic048530+
    • R.O. Freire, G.B. Rocha, and A.M. Simas Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu(III), Gd(III), and Tb(III) Inorganic Chemistry 44 2005 3299 3310 (Pubitemid 40758139)
    • (2005) Inorganic Chemistry , vol.44 , Issue.9 , pp. 3299-3310
    • Freire, R.O.1    Rocha, G.B.2    Simas, A.M.3
  • 36
    • 0032533083 scopus 로고    scopus 로고
    • An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
    • DOI 10.1063/1.477483, PII S0021960698306431
    • R.E. Stratmann, G.E. Scuseria, and M.J. Frisch An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules Journal of Chemical Physics 109 1998 8218 8224 (Pubitemid 128672179)
    • (1998) Journal of Chemical Physics , vol.109 , Issue.19 , pp. 8218-8224
    • Stratmann, R.E.1    Scuseria, G.E.2    Frisch, M.J.3
  • 37
    • 0012716939 scopus 로고
    • Triplet-states via intermediate neglect of differential overlap-benzene, pyridine and diazines
    • J.E. Ridley, and M.C. Zerner Triplet-states via intermediate neglect of differential overlap-benzene, pyridine and diazines Theoretica Chimica Acta 42 1976 223 236
    • (1976) Theoretica Chimica Acta , vol.42 , pp. 223-236
    • Ridley, J.E.1    Zerner, M.C.2
  • 38
    • 33847086509 scopus 로고
    • An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene
    • M.C. Zerner, G.H. Loew, R.F. Kirchner, and U.T. Mueller-Westerhoff An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene Journal of the American Chemical Society 102 1980 589 599
    • (1980) Journal of the American Chemical Society , vol.102 , pp. 589-599
    • Zerner, M.C.1    Loew, G.H.2    Kirchner, R.F.3    Mueller-Westerhoff, U.T.4
  • 39
    • 0001694717 scopus 로고    scopus 로고
    • Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods
    • DOI 10.1016/S0022-328X(01)01079-8, PII S0022328X01010798
    • S.I. Gorelsky, and A.B.P. Lever Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S: comparison of the two methods Journal of Organometallic Chemistry 635 2001 187 196 (Pubitemid 33618338)
    • (2001) Journal of Organometallic Chemistry , vol.635 , Issue.1-2 , pp. 187-196
    • Gorelsky, S.I.1    Lever, A.B.P.2
  • 40
    • 16244385577 scopus 로고
    • University of Florida, Gainesville
    • Zerner, M. C. in ZINDO manual QTP, University of Florida, Gainesville, 1990.
    • (1990) ZINDO Manual QTP
    • Zerner, M.C.1
  • 43
    • 0002919481 scopus 로고
    • A simple overlap model in lanthanide crystal-field theory
    • O.L. Malta A simple overlap model in lanthanide crystal-field theory Chemical Physics Letters 87 1982 27 29
    • (1982) Chemical Physics Letters , vol.87 , pp. 27-29
    • Malta, O.L.1
  • 44
    • 4243301333 scopus 로고
    • 3+ system-A simple overlap model
    • 3+ system-a simple overlap model Chemical Physics Letters 88 1982 353 356
    • (1982) Chemical Physics Letters , vol.88 , pp. 353-356
    • Malta, O.L.1
  • 45
    • 0346279332 scopus 로고    scopus 로고
    • A theoretical approach to intramolecular energy transfer and emission quantum yields in coordination compounds of rare earth ions
    • PII S1386142598000869
    • O.L. Malta, and F.R. Gonçalves e Silva A theoretical approach to intramolecular energy transfer and emission quantum yields in coordination compounds of rare earth ions Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy 54 1998 1593 1599 (Pubitemid 128417189)
    • (1998) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol.54 , Issue.11 , pp. 1593-1599
    • Malta, O.L.1    Goncalves E Silva, F.R.2
  • 48
    • 0002260703 scopus 로고
    • Optical intensities of rare-earth ions in yttrium orthoaluminate
    • M.J. Weber, T.E. Varitimos, and B.H. Matsinger Optical intensities of rare-earth ions in yttrium orthoaluminate Physical Review B 8 1973 47 53
    • (1973) Physical Review B , vol.8 , pp. 47-53
    • Weber, M.J.1    Varitimos, T.E.2    Matsinger, B.H.3
  • 49
    • 17044410514 scopus 로고    scopus 로고
    • 3nL-doped poly(methyl methacrylate)
    • DOI 10.1016/j.jnoncrysol.2005.02.011, PII S0022309305001274
    • J. Guan, B. Chen, Y. Sun, H. Liang, and Q. Zhang Effects of synergetic ligands on the thermal and radiative properties of Eu(TTA)3nL-doped poly(methyl methacrylate) Journal of Non-Crystalline Solids 351 2005 849 855 (Pubitemid 40497401)
    • (2005) Journal of Non-Crystalline Solids , vol.351 , Issue.10-11 , pp. 849-855
    • Guan, J.1    Chen, B.2    Sun, Y.3    Liang, H.4    Zhang, Q.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.