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• W2143804328 abstract "E.P.R. g-factors in low-spin Fe(III) haem complexes are analysed within the framework of a crystal field model in which electrostatic and spin-orbit admixtures of excited t 2 4 e terms into the ground t 2 5 2 T 2 term are considered. For routine analysis of E.P.R. data, a simple form of the effective hamiltonian is proposed with the effective hamiltonian parameters expressed as a function of the cubic field strength Δ. An example of the calculation for the case of HbFe(III)N3 is presented in some detail for comparison with previous analyses. It is found that, when Δ is in the normal range for low-spin Fe(III) ions, the tetragonal and rhombic crystal field splittings are determined to be much larger than earlier estimates which were based on the formulation in the strong cubic field limit. Similar results are obtained for a large number of low-spin derivatives of ferrimyoglobin and ferricytochrome c. However, some difficulty is found in obtaining a physically reasonable solution for ferricytochrome P-450, for which the effect of anisotropy in orbital reduction and/or the effect of charge-transfer terms is suggested to be important." @default.
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• W2143804328 date "1981-02-10" @default.
• W2143804328 modified "2023-09-25" @default.
• W2143804328 title "Crystal field analysis of E.P.R.g-factors in low-spin Fe(III) haem complexes" @default.
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• W2143804328 doi "https://doi.org/10.1080/00268978100100401" @default.
• W2143804328 hasPublicationYear "1981" @default.
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