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. Author manuscript; available in PMC: 2017 Nov 20.
Published in final edited form as: Inorg Chem. 2017 Nov 7;56(22):14118–14128. doi: 10.1021/acs.inorgchem.7b02230

Table 3.

Total Spin of the [MII(OH)FeIII]+ complexes and parameters used to simulate the EPR spectra.

[MII(OH)FeIII]+ MII
MnII FeII NiII CuII ZnII
ST 0 1/2 3/2 2 5/2
SM(II) 5/2 2 1 1/2 0
gM(II) 2,2,2 2, 2.25, 2.25 2.18, 2.18, 2.23 2.07, 2.07, 2.36 1.99, 1.99, 2.00a
DM(II), cm−1 -0.13 +2(1) 16(2) -2.5(1)a
E/DM(II) 0.08 0.10 0.03 0.213a
J, cm−1 +35(3) +26(4) +35(5) +33(5)
a

parameters for FeIII center