Quantum treatment of the optical spectra and the initial electron transfer process within the reaction center of Rhodopseudomonas viridis

P. O.J. Scherer, Sighart F. Fischer

Research output: Contribution to journalArticlepeer-review

103 Scopus citations

Abstract

The mechanism of the initial charge separation in the reaction centers of photosynthetic bacteria is examined together with optical spectra by quantum calculations within the INDO SCI approximation. A representative aggregate consisting of a bacteriochlorophyll dimer P, two bacteriochlorophyll monomers BL and BM as well as two bacteriopheophytines HL and HM and four histidine groups attached to the bacteriochlorophylls respectively is treated as a supermolecule. The coupling for the electron transfer between the initially prepared excited dimer state P* and the first detected charge separated state P+HL- is investigated and different mechanisms are discussed in view of these couplings.

Original languageEnglish
Pages (from-to)115-127
Number of pages13
JournalChemical Physics
Volume131
Issue number1
DOIs
StatePublished - 1 Mar 1989

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