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Issue 40, 2015
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Insights into colour-tuning of chlorophyll optical response in green plants

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Abstract

First-principles calculations within the framework of real-space time-dependent density functional theory have been performed for the complete chlorophyll (Chl) network of the light-harvesting complex from green plants, LHC-II. A local-dipole analysis method developed for this work has made possible the studies of the optical response of individual Chl molecules subjected to the influence of the remainder of the chromophore network. The spectra calculated using our real-space TDDFT method agree with previous suggestions that weak interaction with the protein microenvironment should produce only minor changes in the absorption spectrum of Chl chromophores in LHC-II. In addition, relative shifting of Chl absorption energies leads the stromal and lumenal sides of LHC-II to absorb in slightly different parts of the visible spectrum providing greater coverage of the available light frequencies. The site-specific alterations in Chl excitation energies support the existence of intrinsic energy transfer pathways within the LHC-II complex.

Graphical abstract: Insights into colour-tuning of chlorophyll optical response in green plants

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Publication details

The article was received on 11 Jun 2015, accepted on 14 Jul 2015 and first published on 17 Jul 2015


Article type: Paper
DOI: 10.1039/C5CP03392F
Citation: Phys. Chem. Chem. Phys., 2015,17, 26599-26606
  • Open access: Creative Commons BY license
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    Insights into colour-tuning of chlorophyll optical response in green plants

    J. Jornet-Somoza, J. Alberdi-Rodriguez, B. F. Milne, X. Andrade, M. A. L. Marques, F. Nogueira, M. J. T. Oliveira, J. J. P. Stewart and A. Rubio, Phys. Chem. Chem. Phys., 2015, 17, 26599
    DOI: 10.1039/C5CP03392F

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