The Lowest Excited States in Oligo(Phenylenevinylene)s: A Theoretical Investigation of Optical Absorption Spectra and Geometry Relaxation Phenomena

  • J. Cornil
  • D. Beljonne
  • Z. Shuai
  • D. D. C. Bradley
  • J. L. Brédas


Conjugated polymers have attracted a growing interest as active layers in light-emitting diodes; since the initial discovery by Burroughes et al. that poly(p-phenylenevinylene), PPV, could emit light in an efficient way1, many efforts have been devoted to the design of novel devices with enhanced characteristics2. Due to their ease of synthesis and processing under the form of stable thin films3 and to their remarkable luminescence properties4, PPV and its substituted derivatives arc among the most thoroughly investigated systems to be exploited in LED’s. With time, several strategies have been exploited to significantly improve the performances of these electro-optic devices; as a matter of fact, the internal quantum efficiency (defined as the number of photons emitted over the number of electrons injected) has evolved from an initial value around 0.01%’ to values up to 10%5.


Optical Absorption Spectrum Relaxation Energy Triplet Exciton Lower Singlet Single Configuration Interaction 
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  1. 1.
    J.H. Burroughes, D.D.C. Bradley, A.R. Brown, R.N. Marks, K. Mackay, R.H. Friend, P.L. Bum, and A.B. Holmes, Nature 347:539 (1990).CrossRefGoogle Scholar
  2. 2.
    D. Braun, A. Brown, E.G.J. Staring, and E.W. Meijer, Synth. Met. 65:85 (1994).CrossRefGoogle Scholar
  3. 3.
    D.D.C. Bradley, R.H. Friend, T. Hartmann, E.A. Marseglia, M.M. Sokolowski, and P.D. Townsend, Synth. Met. 17:473 (1987).CrossRefGoogle Scholar
  4. 4.
    I.D.W. Samuel, B. Crystall, G. Rumbles, P.L. Burn, A.B. Holmes, and R.H. Friend, Chem. Phys. Lett. 213:472 (1993).CrossRefGoogle Scholar
  5. 5.
    D.R. Baigent, N.C. Greenham, J. Grüner, R.N. Marks, R.H. Friend, S.C. Moratti, and A.B Holmes, Synth. Met. 67:3 (1994).CrossRefGoogle Scholar
  6. 6.
    R. Kersting, U. Lemmer, R.F. Mahrt, K. Leo, H. Kurz, H. Bässler, and E.O. Göbel, Phys. Rev. Lett. 70:3820 (1993).CrossRefGoogle Scholar
  7. 7.
    J. Cornil, D. Beljonne, Z. Shuai, T. Hagler, I. Campbell, C.W. Spangler, K. Müllen, D.D.C. Bradley, and J.L. Brédas, Chem. Phys. Lett., submitted for publication.Google Scholar
  8. 8.
    MJ.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart, J. Am. Chem. Soc. 107:3902 (1985).CrossRefGoogle Scholar
  9. 9.
    M.C. Zerner, G.H. Loew, R. Kichner, and U.T. Mueller-Westerhoff, J. Am. Chem. Soc. 102:589 (1980).CrossRefGoogle Scholar
  10. 10.
    BJ. Orr and J.F. Ward, Mol. Phys. 20:513 (1971).CrossRefGoogle Scholar
  11. 11.
    S. Heun, R.F. Mahrt, A. Greiner, U. Lemmer, H. Bässler, D.A. Halliday, D.D.C. Bradley, P.L. Burn, and A.B. Holmes, J. Phys.: Condens. Matter 5:247 (1993).CrossRefGoogle Scholar
  12. 12.
    D. Beljonne, Z. Shuai, R.H. Friend, and J.L. Brédas, J. Chem. Phys. 102:2042 (1995).CrossRefGoogle Scholar
  13. 13.
    J.P. Sethna and S. Kivelson, Phys. Rev. B 26:3613 (1982).CrossRefGoogle Scholar
  14. 14.
    Z. Shuai, J.L. Brédas, and W.P. Su, Chem. Phys. Lett. 228:301 (1994).CrossRefGoogle Scholar
  15. 15.
    K. Pichler, D.A. Halliday, D.D.C. Bradley, P.L. Burn, R.H. Friend, and A.B. Holmes, J. Phys.: Condens. Matter 5:7155 (1993).CrossRefGoogle Scholar
  16. 16.
    Z.G. Soos, S. Ramasesha, D.S. Galvao, and S. Etemad, Phys. Rev. B 47:1742 (1993).CrossRefGoogle Scholar
  17. 17.
    L.S. Swanson, J. Shinar, A.R. Brown, D.D.C. Bradley, R.H. Friend, P.L. Bum, A. Kraft, and A.B. Holmes, Phys. Rev. B 46:15072 (1992).CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 1995

Authors and Affiliations

  • J. Cornil
    • 1
  • D. Beljonne
    • 1
  • Z. Shuai
    • 1
  • D. D. C. Bradley
    • 2
  • J. L. Brédas
    • 1
  1. 1.Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique MoléculairesUniversité de Mons-HainautMonsBelgium
  2. 2.Department of Physics and Centre for Molecular MaterialsUniversity of SheffieldSheffieldUK

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