On the initial charge separation in bacterial reaction centers: Long-range electron transfer via an exciton-charge transfer (ECT) coupling mechanism |
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| Institution: | 1. Laboratory of Technology and Solid Properties (LTPS), Abdelhamid Ibn Badis University of Mostaganem, Mostaganem 27000, Algeria;2. Laboratory of Organic Applied Synthesis (LSOA), Department of Chemistry, Faculty of Sciences, University of Oran 1, Ahmed Ben Bella, Oran 31000, Algeria;3. Faculty of Sciences and Technology, Mustapha Stambouli University of Mascara, B.P.763, Mascara 29000, Algeria;4. Chemistry Department, Faculty of Exact Sciences and Informatic, Hassiba Benbouali University, Chlef 02000, Algeria;5. Centre de Recherche Scientifique et Technique en Analyses Physico-chimiques (CRAPC), BP 384, Bou-Ismail-RP, Tipaza 42004, Algeria;6. Laboratoire de Chimie de Coordination, UPR-CNRS 8241, 205, route de Narbonne, Toulouse 31077, France;1. Department of Basic Sciences, Faculty of Engineering, Samsun University, Samsun 55420, Turkey;2. Department of Physics, Faculty of Arts and Sciences, University of Sinop, Sinop 57000, Turkey;3. Department of Chemistry, Faculty of Arts and Sciences, University of Gaziosmanpaşa, Tokat 60250, Turkey |
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| Abstract: | The low-lying electronically excited states for the reaction center of Rps. viridis are investigated using PPP/CI calculations. The six pigments are treated as three interacting pairs, the symmetric special pair dimer BCMPBCLP and the two loosely coupledasymmetric dimers BCLABPL and BCMABPM. It is shown that the charge transfer state BCLA+BPL− can fall below the special pair excitation P* due to partial charge transfer from a histidine to BCLA and due to stabilization of BPL− by a glutamic acid residue. As a result P* can decay in 2.8 ps into BCLA+BPL− which goes over into the radical pair P+ BPL− in less than 1 ps. The first step can be described as an excitonic interaction between P* and BCLA+ BPL−. |
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