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

Jornet-Somoza, J., Alberdi-Rodriguez, J., Milne, B. F., Andrade, X., Marques, M. A. L., Nogueira, F., et al. (2015). Insights into colour-tuning of chlorophyll optical response in green plants. Physical Chemistry Chemical Physics, 17(40), 26599-26606. doi:10.1039/C5CP03392F.

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 Creators:
Jornet-Somoza, Joaquim1, Author
Alberdi-Rodriguez, Joseba2, 3, Author
Milne, Bruce F.2, 4, Author
Andrade, Xavier5, Author
Marques, Miguel A. L.6, 7, Author
Nogueira, Fernando4, Author
Oliveira, Micael J. T.8, Author
Stewart, James J. P.9, Author
Rubio, Angel2, 10, Author              
Affiliations:
1Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain, ou_persistent22              
2Nano-Bio Spectroscopy group and ETSF Scientific Development Centre, Department of Materials Physics, University of the Basque Country, CFM CSIC-UPV/EHU-MPC and DIPC, Tolosa Hiribidea 72, E-20018 Donostia-San Sebastián, Spain, ou_persistent22              
3Dept. of Computer Architecture and Technology, University of the Basque Country UPV/EHU, M. Lardizabal, 1, 20018 Donostia-San Sebastián, Spain, ou_persistent22              
4CFísUC, Department of Physics, University of Coimbra, Rua Larga, 3004–516 Coimbra, Portugal, ou_persistent22              
5Lawrence Livermore National Laboratory, Livermore, CA 94550, United States, ou_persistent22              
6Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle, Germany, ou_persistent22              
7Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, Université de Lyon, F-69622 Villeurbanne Cedex, France, ou_persistent22              
8Department of Physics, University of Liège, B-4000, Liège, Belgium, ou_persistent22              
9Stewart Computational Chemistry, 15210 Paddington Circle, Colorado Springs, CO 80921, USA, ou_persistent22              
10Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2074320              

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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 studies of the optical response of individual Chl molecules subject to the influence of the remainder of the chromophore network. The spectra calculated with 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 available light frequencies. The site-specific alterations in Chl excitation energies support the existence of intrinsic energy transfer pathways within the LHC-II complex.

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Language(s): eng - English
 Dates: 2015-06-112015-07-142015-07-172015-10-28
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/C5CP03392F
 Degree: -

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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: - Volume / Issue: 17 (40) Sequence Number: - Start / End Page: 26599 - 26606 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1