International Journal of Photoenergy

International Journal of Photoenergy / 2006 / Article
Special Issue

Light-harvesting J-aggregates

View this Special Issue

Open Access

Volume 2006 |Article ID 061364 | https://doi.org/10.1155/IJP/2006/61364

Jasper Knoester, "Modeling the optical properties of excitons in linear and tubular J-aggregates", International Journal of Photoenergy, vol. 2006, Article ID 061364, 10 pages, 2006. https://doi.org/10.1155/IJP/2006/61364

Modeling the optical properties of excitons in linear and tubular J-aggregates

Received18 Jun 2006
Revised28 Aug 2006
Accepted06 Sep 2006
Published09 Jan 2007

Abstract

The theory of the optical properties of linear and tubular molecular J-aggregates is reviewed. The primary optical excitations in these systems are Frenkel excitons, which may be delocalized over many molecules. The collective nature of these excitations gives rise to special optical properties and dynamics, which are of interest for purely scientific reasons, but also enable the application of J-aggregates as photographic sensitizers and artificial light-harvesting systems. The focus of this paper is on the effect of aggregate geometry, disorder, and temperature on the absorption and fluorescence spectra. Also transport of excitations between J-aggregates is discussed. Connection is made to experiments on aggregates of cyanine dyes and natural light-harvesting systems.

References

  1. E. E. Jelley, “Spectral absorption and fluorescence of dyes in the molecular state,” Nature, vol. 138, pp. 1009–1010, 1936. View at: Google Scholar
  2. G. Scheibe, “Variability of the absorption spectra of some sensitizing dyes and its cause,” Angewandte Chemie, vol. 49, p. 563, 1936. View at: Google Scholar
  3. T. Tani, Photographic Sensitivity, Oxford University Press, Oxford, UK, 1995.
  4. H. van Amerongen, L. Valkunas, and R. van Grondelle, Photosynthetic Excitons, World Scientific, Singapore, 2000.
  5. S. de Boer, K. J. Vink, and D. A. Wiersma, “Optical dynamics of condensed molecular aggregates: an accumulated photon-echo and hole-burning study of the J-aggregate,” Chemical Physics Letters, vol. 137, no. 2, pp. 99–106, 1987. View at: Publisher Site | Google Scholar
  6. H. Fidder, J. Knoester, and D. A. Wiersma, “Superradiant emission and optical dephasing in J-aggregates,” Chemical Physics Letters, vol. 171, no. 5-6, pp. 529–536, 1990. View at: Publisher Site | Google Scholar
  7. H. Fidder and D. A. Wiersma, “Collective optical-response of molecular aggregates,” Physica Status Solidi B-Basic Research, vol. 188, no. 1, pp. 285–295, 1995. View at: Google Scholar
  8. E. O. Potma and D. A. Wiersma, “Exciton superradiance in aggregates: the effect of disorder, higher order exciton-phonon coupling and dimensionality,” Journal of Chemical Physics, vol. 108, no. 12, pp. 4894–4903, 1998. View at: Publisher Site | Google Scholar
  9. V. F. Kamalov, I. A. Struganova, and K. Yoshihara, “Temperature dependent radiative lifetime of BIC J-aggregates,” Journal of Physical Chemistry, vol. 100, no. 21, pp. 8640–8644, 1996. View at: Publisher Site | Google Scholar
  10. F. C. Spano, J. R. Kuklinski, and S. Mukamel, “Temperature-dependent superradiant decay of excitons in small aggregates,” Physical Review Letters, vol. 65, no. 2, pp. 211–214, 1990. View at: Publisher Site | Google Scholar
  11. I. Renge and U. P. Wild, “Solvent, temperature, and excitonic effects in the optical spectra of pseudoisocyanine monomer and J-aggregates,” Journal of Physical Chemistry Part A, vol. 101, no. 43, pp. 7977–7988, 1997. View at: Publisher Site | Google Scholar
  12. I. G. Scheblykin, O. Yu. Sliusarenko, L. S. Lepnev, A. G. Vitukhnovsky, and M. Van der Auweraer, “Excitons in molecular aggregates of 3,3-Bis-[3-sulfopropyl]-5,5-dichloro-9- ethylthiacarbocyanine (THIATS): temperature dependent properties,” Journal of Physical Chemistry Part B, vol. 105, no. 20, pp. 4636–4646, 2001. View at: Publisher Site | Google Scholar
  13. I. G. Scheblykin, O. Yu. Sliusarenko, L. S. Lepnev, A. G. Vitukhnovsky, and M. Van der Auweraer, “Strong nonmonotonous temperature dependence of exciton migration rate in J aggregates at temperatures from 5 to 300 K,” Journal of Physical Chemistry Part B, vol. 104, no. 47, pp. 10949–10951, 2000. View at: Publisher Site | Google Scholar
  14. A. V. Malyshev, V. A. Malyshev, and F. Domínguez-Adame, “Low-temperature quenching of one-dimensional localized Frenkel excitons,” Chemical Physics Letters, vol. 371, no. 3-4, pp. 417–425, 2003. View at: Publisher Site | Google Scholar
  15. F. C. Spano and S. Mukamel, “Nonlinear susceptibilities of molecular aggregates: enhancement of X(3) by size,” Physical Review A, vol. 40, no. 10, pp. 5783–5801, 1989. View at: Publisher Site | Google Scholar
  16. H. Ishihara and K. Cho, “Cancellation of size-linear terms in the third-order nonlinear susceptibility: frenkel excitons in a periodic chain,” Physical Review B, vol. 42, no. 3, pp. 1724–1730, 1990. View at: Publisher Site | Google Scholar
  17. J. Knoester, “Third-order optical response of molecular aggregates. Disorder and the breakdown of size-enhancement,” Chemical Physics Letters, vol. 203, no. 4, pp. 371–377, 1993. View at: Publisher Site | Google Scholar
  18. H. Fidder, J. Knoester, and D. A. Wiersma, “Observation of the one-exciton to two-exciton transition in a J aggregate,” The Journal of Chemical Physics, vol. 98, no. 8, pp. 6564–6566, 1993. View at: Publisher Site | Google Scholar
  19. G. Juzeliunas, “Exciton absorption spectra of optically excited linear molecular aggregates,” Zeitschrift für Physik D Atoms, Molecules and Clusters, vol. 8, no. 4, pp. 379–384, 1988. View at: Publisher Site | Google Scholar
  20. T. Meier, V. Chernyak, and S. Mukamel, “Multiple exciton coherence sizes in photosynthetic antenna complexes viewed by pump-probe spectroscopy,” Journal of Physical Chemistry B, vol. 101, no. 37, pp. 7332–7342, 1997. View at: Publisher Site | Google Scholar
  21. L. D. Bakalis and J. Knoester, “Pump-probe spectroscopy and the exciton delocalization length in molecular aggregates,” Journal of Physical Chemistry B, vol. 103, no. 31, pp. 6620–6628, 1999. View at: Publisher Site | Google Scholar
  22. A. M. van Oijen, M. Ketelaars, J. Köhler, T. J. Aartsma, and J. Schmidt, “Unraveling the electronic structure of individual photosynthetic pigment-protein complexes,” Science, vol. 285, no. 5426, pp. 400–402, 1999. View at: Publisher Site | Google Scholar
  23. G. Scheibe, in Optische Anregungen Organischer Systeme, W. Först, Ed., p. 109, Chemie, Weinheim, Germany, 1966.
  24. G. Mc Dermott, S. M. Prince, A. A. Freer et al., “Crystal structure of an integral membrane light-harvesting complex from photosynthetic bacteria,” Nature, vol. 374, no. 6522, pp. 517–521, 1995. View at: Publisher Site | Google Scholar
  25. J. Koepke, X. Hu, C. Muenke, K. Schulten, and H. Michel, “The crystal structure of the light-harvesting complex II (B800–850) from Rhodospirillum molischianum,” Structure, vol. 4, no. 5, pp. 581–597, 1996. View at: Publisher Site | Google Scholar
  26. L. A. Staehelin, J. R. Golecki, and G. Drews, “Supramolecular organization of chlorosomes (chlorobium vesicles) and of their membrane attachment sites in Chlorobium Limicola,” Biochimica et Biophysica Acta (BBA)—Bioenergetics, vol. 589, no. 1, pp. 30–45, 1980. View at: Publisher Site | Google Scholar
  27. V. I. Prokhorenko, D. B. Steensgaard, and A. R. Holzwarth, “Exciton Dynamics in the Chlorosomal Antennae of the Green Bacteria Chloroflexus aurantiacus and Chlorobium tepidum,” Biophysical Journal, vol. 79, no. 4, pp. 2105–2120, 2000. View at: Google Scholar
  28. J. Pšencík, T. P. Ikonen, P. Laurinmäki et al., “Lamellar organization of pigments in chlorosomes, the light harvesting complexes of green photosynthetic bacteria,” Biophysical Journal, vol. 87, no. 2, pp. 1165–1172, 2004. View at: Google Scholar
  29. A. Pawlik, A. Ouart, S. Kirstein, H.-W. Abraham, and S. Daehne, “Synthesis and UV/Vis spectra of J-aggregating 5,5,6,6-tetrachlorobenzimidacarbocyanine dyes for artificial light-harvesting systems and for asymmetrical generation of supramolecular helices,” European Journal of Organic Chemistry, vol. 2003, no. 16, pp. 3065–3080, 2003. View at: Publisher Site | Google Scholar
  30. H. von Berlepsch, C. Böttcher, A. Ouart, C. Burger, S. Daehne, and S. Kirstein, “Supramolecular structures of J-aggregates of carbocyanine dyes in solution,” Journal of Physical Chemistry B, vol. 104, no. 22, pp. 5255–5262, 2000. View at: Publisher Site | Google Scholar
  31. H. von Berlepsch, C. Böttcher, A. Ouart et al., “Surfactant-induced changes of morphology of J-aggregates: superhelix-to-tubule transformation,” Langmuir, vol. 16, no. 14, pp. 5908–5916, 2000. View at: Publisher Site | Google Scholar
  32. A. Pawlik, S. Kirstein, U. De Rossi, and S. Daehne, “Structural conditions for spontaneous generation of optical activity in J-aggregates,” Journal of Physical Chemistry B, vol. 101, no. 29, pp. 5646–5651, 2000. View at: Publisher Site | Google Scholar
  33. S. Kirstein, H. von Berlepsch, C. Böttcher et al., “Chiral J-aggregates formed by achiral cyanine dyes,” Chemistry/Physical Chemistry, vol. 1, no. 3, pp. 146–150, 2000. View at: Publisher Site | Google Scholar
  34. C. Didraga, A. Pugžlys, P. R. Hania, H. von Berlepsch, K. Duppen, and J. Knoester, “Structure, spectroscopy, and microscopic model of tubular carbocyanine dye aggregates,” Journal of Physical Chemistry B, vol. 108, no. 39, pp. 14976–14985, 2004. View at: Publisher Site | Google Scholar
  35. A. S. Davydov, Theory of Molecular Excitons, Plenum Press, New York, NY, USA, 1971.
  36. V. Czikkely, H. D. Försterling, and H. Kuhn, “Extended dipole model for aggregates of dye molecules,” Chemical Physics Letters, vol. 6, no. 3, pp. 207–210, 1970. View at: Publisher Site | Google Scholar
  37. G. D. Scholes, I. A. Gould, R. J. Cogdell, and G. R. Fleming, “Ab initio molecular orbital calculations of eCouplings in the LH2 bacterial light-harvesting complex of Rps. acidophila,” Journal of Physical Chemistry B, vol. 103, no. 13, pp. 2543–2553, 1999. View at: Publisher Site | Google Scholar
  38. H. Fidder, J. Knoester, and D. A. Wiersma, “Optical properties of disordered molecular aggregates: a numerical study,” The Journal of Chemical Physics , vol. 95, no. 11, pp. 7880–7890, 1991. View at: Publisher Site | Google Scholar
  39. L. D. Bakalis, I. Rubtsov, and J. Knoester, “Absorption spectra of mixed two-dimensional cyanine aggregates on silver halide substrates,” The Journal of Chemical Physics, vol. 117, no. 11, pp. 5393–5403, 2002. View at: Publisher Site | Google Scholar
  40. C. Didraga, J. A. Klugkist, and J. Knoester, “Optical properties of helical cylindrical molecular aggregates: the homogeneous limit,” Journal of Physical Chemistry B, vol. 106, no. 44, pp. 11474–11486, 2002. View at: Google Scholar
  41. A. Pugžlys, P. R. Hania, C. Didraga, J. Knoester, and K. Duppen, “Cylindrical aggregates of TDBC: linear and nonlinear optical properties versus morphology,” Solid State Phenomena, vol. 97-98, pp. 201–206, 2004. View at: Google Scholar
  42. A. Pugžlys, P. R. Hania, C. Didraga, V. A. Malyshev, J. Knoester, and K. Duppen, “Ultrafast exciton transport in organic nanotubes,” in Ultrafast Phenomena XIV, T. Kobayashi, T. Okada, K. A. Nelson, and S. De Silvestri, Eds., p. 879, Springer, Berlin, Germany, 2005. View at: Google Scholar
  43. C. Didraga and J. Knoester, “Chiral exciton wave functions in cylindrical J aggregates,” The Journal of Chemical Physics, vol. 121, no. 2, pp. 946–959, 2004. View at: Publisher Site | Google Scholar
  44. M. Schreiber and Y. Toyozawa, “Numerical experiments on the absorption lineshape of the exciton under lattice vibrations. I. The overall lineshape,” Journal of the Physical Society of Japan, vol. 51, no. 5, pp. 1528–1537, 1982. View at: Publisher Site | Google Scholar
  45. C. Didraga and J. Knoester, “Optical spectra and localization of excitons in inhomogeneous helical cylindrical aggregates,” The Journal of Chemical Physics, vol. 121, no. 21, pp. 10687–10698, 2004. View at: Publisher Site | Google Scholar
  46. V. A. Malyshev, “Localization length of a 1-D exciton and temperature dependence of the radiative lifetime in frozen dye solutions with J aggregates,” Optics and Spectroscopy, vol. 71, no. 6, pp. 505–506, 1992. View at: Google Scholar
  47. D. J. Heijs, V. A. Malyshev, and J. Knoester, “Decoherence of excitons in multichromophore systems: thermal line broadening and destruction of superradiant emission,” Physical Review Letters, vol. 95, no. 17, Article ID 177402, 2005. View at: Publisher Site | Google Scholar
  48. E. W. Knapp, “Lineshapes of molecular aggregates, exchange narrowing and intersite correlation,” Chemical Physics, vol. 85, no. 1, pp. 73–82, 1984. View at: Publisher Site | Google Scholar
  49. R. Hirschmann and S. Friedrich, “A hole burning study of excitonic states of chain molecules in glasses,” The Journal of Chemical Physics, vol. 91, no. 12, pp. 7988–7993, 1989. View at: Publisher Site | Google Scholar
  50. M. Bednarz, V. A. Malyshev, and J. Knoester, “Intraband relaxation and temperature dependence of the fluorescence decay time of one-dimensional Frenkel excitons: the Pauli master equation approach,” The Journal of Chemical Physics, vol. 117, no. 13, pp. 6200–6213, 2002. View at: Publisher Site | Google Scholar
  51. D. J. Heijs, V. A. Malyshev, and J. Knoester, “Thermal broadening of the J-band in disordered linear molecular aggregates: a theoretical study,” The Journal of Chemical Physics, vol. 123, Article ID 144507, p. 12, 2005. View at: Publisher Site | Google Scholar
  52. M. Shimizu, S. Suto, and T. Goto, “Theory and numerical study of exciton dynamics in a disordered linear chain,” The Journal of Chemical Physics, vol. 114, no. 6, pp. 2775–2783, 2001. View at: Publisher Site | Google Scholar
  53. M. Bednarz, V. A. Malyshev, and J. Knoester, “Temperature dependent fluorescence in disordered Frenkel chains: interplay of equilibration and local band-edge level structure,” Physical Review Letters, vol. 91, no. 21, Article ID 217401, 2003. View at: Publisher Site | Google Scholar
  54. A. Pugžlys, R. Augulis, P. H. M. van Loosdrecht, C. Didraga, V. A. Malyshev, and J. Knoester, “Temperature-dependent relaxation of excitons in tubular molecular aggregates: fluorescence decay and Stokes shift,” Journal of Physical Chemistry B, vol. 110, no. 41, pp. 20268–20276, 2006. View at: Google Scholar
  55. M. Bednarz, V. A. Malyshev, and J. Knoester, “Low-temperature dynamics of weakly localized Frenkel excitons in disordered linear chains,” The Journal of Chemical Physics, vol. 120, no. 8, pp. 3827–3840, 2004. View at: Publisher Site | Google Scholar
  56. Th. Förster, “Zwischenmolekulare energie-wanderung und fluoreszenz,” Annals of Physics, vol. 2, pp. 55–75, 1948. View at: Google Scholar
  57. H. Sumi, “Theory on rates of excitation-energy transfer between molecular aggregates through distributed transition dipoles with application to the antenna system in bacterial photosynthesis,” Journal of Physical Chemistry B, vol. 103, no. 1, pp. 252–260, 1999. View at: Publisher Site | Google Scholar
  58. K. Mukai, S. Abe, and H. Sumi, “Theory of rapid excitation-energy transfer from B800 to optically-forbidden exciton states of B850 in the antenna system LH2 of photosynthetic purple bacteria,” Journal of Physical Chemistry B, vol. 103, no. 29, pp. 6096–6102, 1999. View at: Publisher Site | Google Scholar
  59. S. Jang, M. D. Newton, and R. J. Silbey, “Multichromophoric Förster resonance energy transfer,” Physical Review Letters, vol. 92, no. 21, Article ID 218301, 2004. View at: Publisher Site | Google Scholar
  60. N. Fukutake, S. Takasaka, and T. Kobayashi, “Energy transfer between two kinds of J-aggregates studied by near-field absorption-fluorescence spectroscopy,” Chemical Physics Letters, vol. 361, no. 1-2, pp. 42–48, 2002. View at: Publisher Site | Google Scholar
  61. C. Didraga, V. A. Malyshev, and J. Knoester, “Excitation energy transfer between closely spaced multichromophoric systems: Effects of band mixing and intraband relaxation ,” Journal of Physical Chemistry B, vol. 110, no. 38, pp. 18818–18827, 2006. View at: Google Scholar
  62. S. Kirstein, H. von Berlepsch, and C. Böttcher, “Photo induced reduction of noble metal ions to metal nonoparticles on tabular J-aggregates,” International Journal of Photoenergy, vol. 2007, Article ID 47917, 2007. View at: Google Scholar

Copyright © 2006 Jasper Knoester. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


More related articles

 PDF Download Citation Citation
 Order printed copiesOrder
Views427
Downloads1220
Citations

Article of the Year Award: Outstanding research contributions of 2020, as selected by our Chief Editors. Read the winning articles.