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Title

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

AuthorsJornet-Somoza, Joaquim; Alberdi-Rodríguez, Joseba; Milne, Bruce F.; Andrade, Xavier; Marques, Miguel A. L.; Nogueira, Fernando; Oliveira, Micael J. T.; Stewart, James J. P.; Rubio, Angel
Issue Date2015
PublisherRoyal Society of Chemistry (UK)
CitationPhysical Chemistry Chemical Physics 17(40): 26599-26606 (2015)
AbstractFirst-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.
DescriptionThis article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Publisher version (URL)http://dx.doi.org/10.1039/C5CP03392F
URIhttp://hdl.handle.net/10261/136487
DOI10.1039/C5CP03392F
Identifiersdoi: 10.1039/C5CP03392F
issn: 1463-9076
e-issn: 1463-9084
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