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Ultrafast Carotenoid Band Shifts:  Experiment and Theory

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    Ultrafast Carotenoid Band Shifts:  Experiment and Theory†
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    Department of Chemical Physics, Lund University, P.O. Box 124, S-22100 Lund, Sweden, Krebs Institute and Robert Hill Institute for Photosynthesis, Department of Molecular Biology and Biotechnology, University of Sheffield, Western Bank, Sheffield S10 2TN, U. K., Division of Physics and Astronomy, Faculty of Sciences, Vrije Universiteit, de Boelelaan 1081, 1081 HV Amsterdam, The Netherlands, IBLS, University of Glasgow, Glasgow G12 8QQ, U. K., and FOM-Institute for Atomic and Molecular Physics, Kruislaan 407, 1098 SJ Amsterdam, The Netherlands
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    The Journal of Physical Chemistry B

    Cite this: J. Phys. Chem. B 2004, 108, 29, 10398–10403
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    https://doi.org/10.1021/jp040094p
    Published June 2, 2004
    Copyright © 2004 American Chemical Society
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    Abstract

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    The ultrafast carotenoid band shift upon excitation of nearby bacteriochlorophyll molecules was studied in three different light harvesting complexes from purple bacteria. The results were analyzed in terms of changes in local electric field of the carotenoids. Time dependent density functional theory calculations based on known and model structures led to good agreement with experimental results, strongly suggesting that the mutual orientation of the pigment molecules rather than the type of the carotenoid molecules determines the extent of the ultrafast band shift. We further estimate that the protein induced local field nearby carotenoid molecule is about 4 or 6 MV/cm, depending on the orientation of the change of the electrical dipole in the carotenoid upon optical transition.

    Copyright © 2004 American Chemical Society

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    †

     Part of the special issue “Gerald Small Festschrift”.

    #

     FOM-Institute for Atomic and Molecular Physics.

    ‖

     Vrije Universiteit.

    ‡

     Lund University.

    §

     University of Sheffield.

    ⊥

     University of Glasgow.

    *

     Corresponding author.

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    The Journal of Physical Chemistry B

    Cite this: J. Phys. Chem. B 2004, 108, 29, 10398–10403
    Click to copy citationCitation copied!
    https://doi.org/10.1021/jp040094p
    Published June 2, 2004
    Copyright © 2004 American Chemical Society
    Request reuse permissions

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