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From torsional spectra to Hamiltonians and dynamics: effects of coupled bright and dark states of 9-(N-carbazolyl)-anthracene

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

The torsional dynamics of the 9-(N-carbazolyl)-anthracene (C9A) molecule is investigated by means of time-independent (1) and time-dependent (2) quantum-mechanical simulations in a diabatic representation. The study includes effects of surface crossing of the brightS 1 state with a dark state. (1) The intensity pattern of theS 0 →S 1 fluorescence excitation spectrum is used to fit an effective one-dimensional Hamiltonian with a single-minimum potential for the dark state together with diabatic couplings to the double well potential of the bright state. (2) Based on this Hamiltonian, first predictions for a pump-probe scheme are made. In the pump process the molecules are excited to theS 1 state followed by competing torsions in the bright state and diabatic curve crossings to the dark state, depending on the pump frequency. Assuming the probe process to be an ionization from the bright state, the interfering effects of the dark state on the dynamics in the bright state can be monitored in a directly time-dependent way on a fs-ps time scale.

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References

  1. Michl, J., Bonačić-Koutecký, V.: Electronic aspects of organic photochemistry. New York: Wiley 1990

    Google Scholar 

  2. Lippert, E., Lüder, W., Boos, H.: In: Advances in molecular spectroscopy. p. 443. Mangini A. (ed.). Oxford: Pergamon Press 1962

    Google Scholar 

  3. Grabowski, Z.R., Rotkiewicz, K., Siemiarczuk, A., Cowley, D.J., Baumann, W.: Nouv. J. Chim.3, 443 (1979)

    Google Scholar 

  4. Lippert, E., Rettig, W., Bonačić-Koutecký, V., Heisel, F., Miehé, J.A.: Adv. Chem. Phys.68, 1 (1987)

    Google Scholar 

  5. Rettig, W.: In: Electron transfer I. Mattay, J. (ed.). Topics in current chemistry, Vol. 169, pp. 253–299. Berlin Heidelberg New York: Springer 1994

    Google Scholar 

  6. Subaric-Leitis, A., Monte, C., Roggan, A., Rettig, W., Zimmermann, P.: J. Chem. Phys.93, 4543 (1990)

    Google Scholar 

  7. Kajimoto, O., Yamasaki, K., Arita, K., Hara, K.: Chem. Phys. Lett.125, 184 (1986)

    Google Scholar 

  8. Homa, K., Arita, K., Yamasaki, K., Kajimoto, O.: J. Chem. Phys.94, 3496 (1991)

    Google Scholar 

  9. Monte, C., Roggan, A., Subaric-Leitis, A., Rettig, W., Zimmermann, P.: J. Chem. Phys.98, 2580 (1993)

    Google Scholar 

  10. Quack, M.: Annu. Rev. Phys. Chem.41, 839 (1990)

    Google Scholar 

  11. Quack, M.: In: Femtosecond chemistry, Chap. 27. Manz, J., Wöste, L. (eds.). Weinheim: Verlag Chemie 1995

    Google Scholar 

  12. Frederick, J.H., Heller, E.J., Ozment, J.L., Pratt, D.W.: J. Chem. Phys.88, 2169 (1988)

    Google Scholar 

  13. Lewis, J.D., Malloy, T.B., Taina, H., Lacane, C., Lacane, J.: J. Mol. Struct.12, 427 (1972)

    Google Scholar 

  14. Dormans, G.J.M., Groenenboom, G.C., Buck, H.M.: J. Chem. Phys.86, 4895 (1987)

    Google Scholar 

  15. Seidner, L., Stock, G., Domcke, W.: Chem. Phys. Lett.228, 665 (1994)

    Google Scholar 

  16. Seidner, L., Domcke, W.: Chem. Phys.186, 27 (1994)

    Google Scholar 

  17. Kosloff, R.: J. Phys. Chem.92, 2087 (1988)

    Google Scholar 

  18. Meyer, R.: J. Chem. Phys.52, 2053 (1970)

    Google Scholar 

  19. Marston, C.C., Balint-Kurti, G.G.: J. Chem. Phys.91, 3571 (1989)

    Google Scholar 

  20. Leforestier, C., Bisseling, R.H., Cerjan, C., Feit, M.D., Friesner, R., Guldberg, A., Hammerich, A., Jolicard, G., Karrlein, W., Meyer, H.-D., Lipkin, N., Roncero, O., Kosloff, R.: J. Comp. Phys.94, 59 (1991)

    Google Scholar 

  21. Kosloff, R.: Annu. Rev. Phys. Chem.45, 145 (1994)

    Google Scholar 

  22. Feit, M.D., Fleck, Jr, J.A., Steiger, A.: J. Comput. Phys.47, 412 (1982)

    Google Scholar 

  23. Feit, M.D., Fleck, Jr, J.A.: J. Chem. Phys.78, 301 (1983)

    Google Scholar 

  24. Alvarellos, J., Metiu, H.: J. Chem. Phys.88, 4957 (1988)

    Google Scholar 

  25. Tal-Ezer, H., Kosloff, R.: J. Chem. Phys.81, 3967 (1984)

    Google Scholar 

  26. Paramonov, G.K., Savva, V.A.: Phys. Lett. A97, 340 (1983)

    Google Scholar 

  27. Stock, G., Domcke, W.: Phys. Rev. A45, 3032 (1992)

    Google Scholar 

  28. Mukamel, S.: Annu. Rev. Phys. Chem.41, 647 (1990)

    Google Scholar 

  29. Khundkar, L.R., Zewail, A.H.: Annu. Rev. Phys. Chem.41, 15 (1990)

    Google Scholar 

  30. Zewail, A.H.: In: Femtosecond chemistry, Chap. 2. Manz, J., Wöste, L. (eds.). Weinhelm: Verlag Chemie 1995

    Google Scholar 

  31. Meier, C., Engel, V.: In: Femtosecond chemistry, Chap. 11. Manz, J., Wöste, L. (eds.). Weinheim: Verlag Chemie 1995

    Google Scholar 

  32. Averbukh, I.S., Perelman, N.F.: Phys. Lett. A139, 449 (1989)

    Google Scholar 

  33. Kühn, O., May, V.: Chem. Phys. Lett.225, 511 (1994)

    Google Scholar 

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Authors and Affiliations

  1. Institut für Physikalische und Theoretische Chemie, Freie Universität Berlin, Takustrasse 3, D-14195, Berlin, Germany

    J. Manz, B. Proppe & B. Schmidt

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  1. J. Manz
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  2. B. Proppe
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  3. B. Schmidt
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Manz, J., Proppe, B. & Schmidt, B. From torsional spectra to Hamiltonians and dynamics: effects of coupled bright and dark states of 9-(N-carbazolyl)-anthracene. Z Phys D - Atoms, Molecules and Clusters 34, 111–118 (1995). https://doi.org/10.1007/BF01439385

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  • DOI: https://doi.org/10.1007/BF01439385

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