QUANTUM-CHEMICAL MODELING OF THE PHOTODECOMPOSITION OF THE WATER DIMER IN CHLOROPHYLL COMPLEXES OF MAGNESIUM AND MANGANESE

On the basis of quantum-chemical in the MPNDO/3 approximation, a react ion has been proposed for the photodecomposition of water in complexes M.Chl(a)...(H2O)(2) --> M.Chl(a) + O-2 + 4H(+) + 4e(-) (M = Mg, Mn), which suggests an interpretation of the primary event of photosynthesi s. Calculations of the photosynthetic evolution of oxygen according to the Joliot-Kok model in complexes M.Chl(a)...(H2O)(2) are in good agr eement with the experimental data of the thermoluminescence of chlorop hyll photosystem II.