Abstract
Abstract Possible spin-exchange structures of the Mn(III,IV,IV,IV) cluster in an S 2 state of plant photosystem II were computer-searched, within the range compatible with X-ray absorption data, by diagonalizing each Heisenberg spin-exchange Hamiltonian and then by checking whether it can take the S =1/2 ground state capable of explaining the effective 55 Mn hyperfine constants determined from oriented multiline spectra and the first excited state with excitation energy around 20–50 cm −1 , or not. The possible spin-exchange structures were found to be distributed in those that contain only one strong-antiferromagnetic coupling and at most two intermediate coupling(s). The most probable structures are discussed in detail.
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