Chlorophyll excitations in photosystem I of Synechococcus elongatus

Ana Damjanović, Harsha M. Vaswani, Petra Fromme, Graham R. Fleming

Research output: Contribution to journalArticle

114 Citations (Scopus)

Abstract

The Qy excitation energies of the 96 chlorophyll molecules in photosystem I of Synechococcus elongatus, both in and out of their protein environments, were obtained by using the semiempirical INDO/S method and the crystal structure geometries. The dipole-dipole approximation was used to calculate the coupling between the Qy states of chlorophylls; in the case of closely separated chlorophylls INDO/S dimer calculations were used to determine the couplings. The effective Hamiltonian for chlorophyll Qy excitations was constructed, enabling tentative assignment of red chlorophylls and calculation of the absorption spectrum of PSI.

Original languageEnglish
Pages (from-to)10251-10262
Number of pages12
JournalJournal of Physical Chemistry B
Volume106
Issue number39
DOIs
Publication statusPublished - Oct 3 2002

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Photosystem I Protein Complex
chlorophylls
Chlorophyll
excitation
dipoles
Hamiltonians
Excitation energy
Dimers
Absorption spectra
Crystal structure
dimers
proteins
Proteins
absorption spectra
crystal structure
Molecules
Geometry
geometry
approximation
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Chlorophyll excitations in photosystem I of Synechococcus elongatus. / Damjanović, Ana; Vaswani, Harsha M.; Fromme, Petra; Fleming, Graham R.

In: Journal of Physical Chemistry B, Vol. 106, No. 39, 03.10.2002, p. 10251-10262.

Research output: Contribution to journalArticle

Damjanović, Ana ; Vaswani, Harsha M. ; Fromme, Petra ; Fleming, Graham R. / Chlorophyll excitations in photosystem I of Synechococcus elongatus. In: Journal of Physical Chemistry B. 2002 ; Vol. 106, No. 39. pp. 10251-10262.
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