Fine Structures of Iron Ions in Hemoproteins

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  • Otsuka Jinya
    Department of Physics, Faculty of Engineering Science, Osaka University

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Energy levels and eigenfunctions of various SΓ states for d5 and d6 in a ligand field of the tetragonal symmetry are calculated. Then the spin-orbit interaction is taken account of and the fine structures of ground SΓ states, mainly those of high spin states, are investigated in order to give the basis to analyze magnetic measurements on hemoproteins. For Fe3+, the spin Hamiltonian DSZ2 is derived from perturbation calculation and the values of ligand field parameters X, Y and Z are discussed from the experimental value of D for ferric myoglobin. Biquardratic terms of spin Hamiltonian are also derived. For Fe2+, temperature dependences of the effective magnetic moment are discussed in detail for various cases of ligand field strength. In ferrous hemoglobin, the lowest quintet state seems to be separated from other quintet states by energies much larger than the spin-orbit interaction and the ligand field seems to be considerably different from that in the ferric form.

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