TCB Publications - Abstract

Ana Damjanović, Thorsten Ritz, and Klaus Schulten. Excitation energy trapping by the reaction center of Rhodobacter sphaeroides. Int. J. Quantum Chem., 77:139-151, 2000.

DAMJ2000 The excitation energy transfer between light-harvesting complex I (LH-I) and the photosynthetic reaction center (RC) of the purple bacterium Rhodobacter (Rb.) sphaeroides is investigated on the basis of the atomic level structures of the two proteins, assuming a ring-shaped model for LH-I. Rates of excitation energy transfer are calculated, based on Förster theory. The LH-I and RC electronic excitations are described through effective Hamiltonians established previously, with parameters derived from quantum chemistry calculations by Zerner and coworkers. We also present effective Hamiltonian description with parameters based on spectroscopic properties. We study two extreme models of LH-I excitations, electronic excitations delocalized over the entire LH-I ring, and excitations localized on single bacteriochlorophylls. The role of accessory bacteriochlorophylls in bridging the excitation energy transfer is investigated. The rates of back-transfer, i.e., RC $\rightarrow$ LH-I excitation energy transfer, are determined, too.

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